#METABOLOMICS WORKBENCH fadhlyemen_20180308_170508 DATATRACK_ID:1338 STUDY_ID:ST001114 ANALYSIS_ID:AN001810 PROJECT_ID:PR000745 VERSION 1 CREATED_ON December 13, 2018, 11:01 am #PROJECT PR:PROJECT_TITLE Cord blood metabolomics are associated with maternal pre-pregnant obesity in a PR:PROJECT_TITLE prospective multi-ethnic cohort PR:PROJECT_SUMMARY na PR:INSTITUTE University of Hawaii PR:DEPARTMENT Epidemiology, Cancer Center PR:LAST_NAME Garmire PR:FIRST_NAME Lana PR:ADDRESS 701 Ilalo Street PR:EMAIL Lgarmire@cc.hawaii.edu PR:PHONE NA #STUDY ST:STUDY_TITLE Metabolomics profile of umbilical cord blood is associated with maternal ST:STUDY_TITLE pre-pregnant obesity in a perspective multi-ethnic cohort displaying health ST:STUDY_TITLE disparities ST:STUDY_SUMMARY Maternal obesity has become a growing global health concern that impacts fetal ST:STUDY_SUMMARY health and subsequently predisposes the offspring to medical conditions later in ST:STUDY_SUMMARY life. However, the molecular link between abnormal fetal metabolomic profiles ST:STUDY_SUMMARY and maternal obesity has not yet been fully elucidated. In this study, we report ST:STUDY_SUMMARY new discoveries from the newborn cord blood metabolomes associated with a ST:STUDY_SUMMARY case-control maternal obesity cohort, collected from multi-ethnic populations in ST:STUDY_SUMMARY Hawaii, including rarely reported Native Hawaiian and other Pacific Islanders ST:STUDY_SUMMARY (NHPI). This cohort displays significant maternal obesity disparities by ST:STUDY_SUMMARY subjects’ residential area average income and health insurance. An elastic net ST:STUDY_SUMMARY penalized logistic regression model was constructed to associate cord blood ST:STUDY_SUMMARY metabolomics and demographic/physiological information to maternal obesity, with ST:STUDY_SUMMARY accuracy as high as 0.947. We identify 29 metabolites as early-life biomarkers ST:STUDY_SUMMARY manifesting intrauterine effect of maternal obesity. ST:INSTITUTE University of Hawaii ST:DEPARTMENT Epidemiology, University of Hawaii Cancer center ST:LAST_NAME Garmire ST:FIRST_NAME Lana ST:ADDRESS 701 Ilalo Street ST:EMAIL Lgarmire@cc.hawaii.edu ST:PHONE NA ST:NUM_GROUPS 2 ST:TOTAL_SUBJECTS 57 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS MT12 MT12 Weight:Normal SUBJECT_SAMPLE_FACTORS MT13 MT13 Weight:Obese SUBJECT_SAMPLE_FACTORS MT15 MT15 Weight:Normal SUBJECT_SAMPLE_FACTORS MT16 MT16 Weight:Obese SUBJECT_SAMPLE_FACTORS MT18 MT18 Weight:Obese SUBJECT_SAMPLE_FACTORS MT19 MT19 Weight:Normal SUBJECT_SAMPLE_FACTORS MT20 MT20 Weight:Normal SUBJECT_SAMPLE_FACTORS MT22 MT22 Weight:Normal SUBJECT_SAMPLE_FACTORS MT23 MT23 Weight:Normal SUBJECT_SAMPLE_FACTORS MT24 MT24 Weight:Obese SUBJECT_SAMPLE_FACTORS MT25 MT25 Weight:Obese SUBJECT_SAMPLE_FACTORS MT26 MT26 Weight:Obese SUBJECT_SAMPLE_FACTORS MT27 MT27 Weight:Normal SUBJECT_SAMPLE_FACTORS MT28 MT28 Weight:Normal SUBJECT_SAMPLE_FACTORS MT29 MT29 Weight:Normal SUBJECT_SAMPLE_FACTORS MT30 MT30 Weight:Obese SUBJECT_SAMPLE_FACTORS MT31 MT31 Weight:Obese SUBJECT_SAMPLE_FACTORS MT32 MT32 Weight:Obese SUBJECT_SAMPLE_FACTORS MT33 MT33 Weight:Normal SUBJECT_SAMPLE_FACTORS MT34 MT34 Weight:Obese SUBJECT_SAMPLE_FACTORS MT35 MT35 Weight:Normal SUBJECT_SAMPLE_FACTORS MT36 MT36 Weight:Normal SUBJECT_SAMPLE_FACTORS MT38 MT38 Weight:Normal SUBJECT_SAMPLE_FACTORS MT39 MT39 Weight:Normal SUBJECT_SAMPLE_FACTORS MT40 MT40 Weight:Obese SUBJECT_SAMPLE_FACTORS MT41 MT41 Weight:Normal SUBJECT_SAMPLE_FACTORS MT42 MT42 Weight:Normal SUBJECT_SAMPLE_FACTORS MT43 MT43 Weight:Obese SUBJECT_SAMPLE_FACTORS MT44 MT44 Weight:Normal SUBJECT_SAMPLE_FACTORS MT45 MT45 Weight:Normal SUBJECT_SAMPLE_FACTORS MT49 MT49 Weight:Obese SUBJECT_SAMPLE_FACTORS MT50 MT50 Weight:Normal SUBJECT_SAMPLE_FACTORS MT51 MT51 Weight:Normal SUBJECT_SAMPLE_FACTORS MT52 MT52 Weight:Obese SUBJECT_SAMPLE_FACTORS MT53 MT53 Weight:Obese SUBJECT_SAMPLE_FACTORS MT54 MT54 Weight:Obese SUBJECT_SAMPLE_FACTORS MT55 MT55 Weight:Obese SUBJECT_SAMPLE_FACTORS MT56 MT56 Weight:Obese SUBJECT_SAMPLE_FACTORS MT57 MT57 Weight:Normal SUBJECT_SAMPLE_FACTORS MT58 MT58 Weight:Normal SUBJECT_SAMPLE_FACTORS MT59 MT59 Weight:Obese SUBJECT_SAMPLE_FACTORS MT60 MT60 Weight:Obese SUBJECT_SAMPLE_FACTORS MT61 MT61 Weight:Obese SUBJECT_SAMPLE_FACTORS MT62 MT62 Weight:Obese SUBJECT_SAMPLE_FACTORS MT63 MT63 Weight:Obese SUBJECT_SAMPLE_FACTORS MT64 MT64 Weight:Normal SUBJECT_SAMPLE_FACTORS MT65 MT65 Weight:Normal SUBJECT_SAMPLE_FACTORS MT66 MT66 Weight:Obese SUBJECT_SAMPLE_FACTORS MT67 MT67 Weight:Normal SUBJECT_SAMPLE_FACTORS MT68 MT68 Weight:Normal SUBJECT_SAMPLE_FACTORS MT69 MT69 Weight:Obese SUBJECT_SAMPLE_FACTORS MT73 MT73 Weight:Normal SUBJECT_SAMPLE_FACTORS MT74 MT74 Weight:Obese SUBJECT_SAMPLE_FACTORS MT75 MT75 Weight:Obese SUBJECT_SAMPLE_FACTORS MT76 MT76 Weight:Obese SUBJECT_SAMPLE_FACTORS MT77 MT77 Weight:Normal SUBJECT_SAMPLE_FACTORS MT78 MT78 Weight:Normal #COLLECTION CO:COLLECTION_SUMMARY NA CO:SAMPLE_TYPE Blood (plasma) #TREATMENT TR:TREATMENT_SUMMARY NA #SAMPLEPREP SP:SAMPLEPREP_SUMMARY NA #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Waters Acquity CH:COLUMN_NAME ACQUITY UPLC BEH C18 1.7µm CH:FLOW_RATE 0.4 ml/min CH:COLUMN_TEMPERATURE 35 CH:SOLVENT_A Water + 0.1% formic acid CH:SOLVENT_B Acetonitrile + 0.1% formic acid CH:ANALYTICAL_TIME 6.6 min #ANALYSIS AN:ANALYSIS_TYPE MS AN:SOFTWARE_VERSION MassLynx Version 4.1 #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME Waters Xevo-TQ-S MS:INSTRUMENT_TYPE Triple quadrupole MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:CAPILLARY_TEMPERATURE 150 °C MS:CAPILLARY_VOLTAGE 3.9V MS:COLLISION_ENERGY 20V MS:COLLISION_GAS 0.17 mL/Min MS:DRY_GAS_FLOW 150 L/Hr MS:DRY_GAS_TEMP 350 °C #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS intensity MS_METABOLITE_DATA_START Samples MT12 MT13 MT15 MT16 MT18 MT19 MT20 MT22 MT23 MT24 MT25 MT26 MT27 MT28 MT29 MT30 MT31 MT32 MT33 MT34 MT35 MT36 MT38 MT39 MT40 MT41 MT42 MT43 MT44 MT45 MT49 MT50 MT51 MT52 MT53 MT54 MT55 MT56 MT57 MT58 MT59 MT60 MT61 MT62 MT63 MT64 MT65 MT66 MT67 MT68 MT69 MT73 MT74 MT75 MT76 MT77 MT78 Factors Weight:Normal Weight:Obese Weight:Normal Weight:Obese Weight:Obese Weight:Normal Weight:Normal Weight:Normal Weight:Normal Weight:Obese Weight:Obese Weight:Obese Weight:Normal Weight:Normal Weight:Normal Weight:Obese Weight:Obese Weight:Obese Weight:Normal Weight:Obese Weight:Normal Weight:Normal Weight:Normal Weight:Normal Weight:Obese Weight:Normal Weight:Normal Weight:Obese Weight:Normal Weight:Normal Weight:Obese Weight:Normal Weight:Normal Weight:Obese Weight:Obese Weight:Obese Weight:Obese Weight:Obese Weight:Normal Weight:Normal Weight:Obese Weight:Obese Weight:Obese Weight:Obese Weight:Obese Weight:Normal Weight:Normal Weight:Obese Weight:Normal Weight:Normal Weight:Obese Weight:Normal Weight:Obese Weight:Obese Weight:Obese Weight:Normal Weight:Normal Histidine 3.258342857 3.413653333 3.31136 2.955011765 2.853608511 4.439148387 3.030876712 4.027005714 2.326746667 0.817168 3.0296 2.9372512 3.576748148 5.104485926 4.7424 3.833415385 3.259829126 2.536944 3.32716 2.2594624 2.706985714 2.911988 3.180021818 2.906973585 4.850228571 2.879248485 3.311172816 2.869236364 4.866488235 3.710170213 2.543555556 3.240870588 1.678737705 1.976206061 2.672481928 3.442094545 2.368972308 2.440562406 4.159037288 4.589164912 3.447533333 2.409533333 2.059186207 4.915791549 4.417032727 3.285473684 3.28728 3.270471642 4.480329412 2.014055556 4.024558621 4.351340351 5.530975 3.352664615 4.429791667 4.130058333 3.545611594 isoleucine 3.150990476 4.447713333 3.45816 0 2.370748936 6.320180645 3.877189041 4.403257143 2.81572 2.175584 1.696092308 3.9301344 2.403340741 0 3.579652632 3.243776923 3.687809709 1.31264 3.222672 1.626192 3.359880952 2.553544 0 2.186762264 4.265397403 0 2.740842718 1.514566234 5.453317647 4.646595745 1.893768889 0 2.514737705 1.18009697 0 0 3.814510769 2.970712782 4.099138983 4.759747368 5.962586667 3.467504762 2.740813793 5.232433803 3.928254545 2.181578947 4.969245714 4.091731343 6.858388235 3.387055556 3.856648276 4.720575439 5.227333333 2.26496 3.200516667 4.763108333 4.22684058 Proline 5.443257143 3.831633333 3.585668571 2.420862745 4.180178723 4.073535484 2.503884932 4.956502857 4.853013333 5.114496 2.614387692 2.7294816 3.3226 3.30765037 4.979852632 3.214130769 2.126372816 4.340048 2.505056 1.990048 1.921461905 2.34088 2.740705455 2.861192453 2.835361039 2.710745455 2.207052427 2.021548052 3.263517647 3.649642553 2.982951111 2.324182353 1.585383607 3.638763636 2.661291566 3.171149091 2.875470769 1.597488722 4.795864407 3.087621053 2.40064 3.607352381 3.832868966 2.656107042 3.330901818 3.472284211 2.578234286 3.422358209 4.038888235 3.106266667 3.042772414 3.690252632 3.188025 2.668566154 2.803275 3.308583333 2.353310145 Tryptophan 2.240152381 2.428766667 2.658834286 1.361709804 1.663489362 2.829870968 1.131057534 2.504891429 2.501933333 1.606704 1.322172308 1.4084544 2.0586 2.070779259 2.615673684 1.784153846 1.478539806 2.253504 1.435728 1.004368 1.375214286 1.430868 1.399665455 1.705373585 2.00361039 1.165369697 1.250520388 1.550696104 1.877805882 2.503157447 2.04312 1.480876471 0.938311475 1.718933333 1.952573494 2.426552727 1.109575385 1.084505263 2.976427119 1.89114386 1.990966667 1.955371429 1.990606897 2.123042254 1.725025455 1.790905263 2.535948571 2.054591045 2.949047059 1.597855556 2.652241379 2.569291228 2.570116667 1.234978462 2.098516667 2.633108333 1.727744928 N-Acetyl-l-ornithine 0.144428571 0.2058 0.194011429 0.131890196 0.155387234 0.202219355 0.177890411 0.222502857 0.121933333 0.087504 0.174203077 0.1677056 0.138066667 0.172148148 0.197547368 0.1014 0.168776699 0.16072 0.163192 0.1095552 0.155990476 0.14052 0.168087273 0.163139623 0.105132468 0.114 0.208683495 0.1192 0.138782353 0.147506383 0.113368889 0.072417647 0.070163934 0.112133333 0.138028916 0.148269091 0.113729231 0.216667669 0.270576271 0.260673684 0.271373333 0.173171429 0.1872 0.335408451 0.300603636 0.241715789 0.230662857 0.206173134 0.239870588 0.124011111 0.220875862 0.27362807 0.434683333 0.171489231 0.256033333 0.293191667 0.194631884 Kynurenine 0.096257143 0.1907 0.134422857 0.09527451 0.020680851 0.11396129 0.071715068 0.022331429 0.053373333 0.052752 0.105569231 0.0937472 0.051918519 0.116859259 0.018315789 0.120330769 0.098636893 0.084432 0.0718 0.0602144 0.08992381 0.076792 0.044298182 0.094188679 0.12518961 0.108315152 0.140132039 0.105953247 0.107882353 0.088851064 0.095324444 0.110635294 0.059177049 0.078557576 0.129604819 0.069767273 0.040935385 0.126150376 0.18660339 0.163592982 0.215446667 0.048857143 0.029213793 0.205047887 0.017258182 0.129778947 0.202777143 0.16599403 0.196735294 0.058688889 0.092917241 0.163621053 0.080175 0.102990769 0.226175 0.166833333 0.115513043 Methionine sulfoxide 0.030009524 0.038533333 0.101485714 0.042333333 0.022655319 0.084219355 0 0.174354286 0 0.055696 0.049255385 0.0371392 0.027585185 0.050779259 0.129347368 0.030207692 0.005572816 0.019504 0.029312 0 0.035647619 0.030096 0.050661818 0 0 0.035878788 0.059662136 0 0 0.078076596 0 0.028847059 0.023940984 0 0.040385542 0.058814545 0.070436923 0.034384962 0.064372881 0.073684211 0.104966667 0.106114286 0.390427586 0.078912676 0.066770909 0.106042105 0.051691429 0.052053731 0.140347059 0 0 0.072491228 0.085083333 0.065526154 0.181533333 0 0.072504348 trans-4-Hydroxy-L-proline 0 0.009193333 0.021931429 0 0 0.030606452 0 0 0 0 0.009956923 0.0049376 0.009133333 0.011881481 0.017368421 0 0.005250485 0 0 0 0.006938095 0.003588 0 0.007645283 0.011267532 0 0.005879612 0.012498701 0.013852941 0.014519149 0.016115556 0 0.00644918 0 0.00993253 0.009461818 0.026676923 0.01235188 0.027850847 0.029635088 0.027706667 0.049657143 0.059434483 0.024022535 0.032509091 0.041189474 0.023954286 0.024740299 0.023288235 0.043722222 0.028131034 0.035108772 0.033266667 0.025156923 0.03515 0.032483333 0.02257971 Putrescine 0 0.004233333 0 0.001423529 0.003557447 0 0.001923288 0.003805714 0 0 0.002153846 0.0018144 0.003259259 0.003774815 0.004378947 0 0.002264078 0.005312 0.00364 0.0013216 0.002209524 0.001868 0.003869091 0.002128302 0.002732468 0.002369697 0 0.002841558 0.002658824 0 0.00296 0 0.001272131 0 0.001590361 0.002894545 0.005692308 0.002246617 0.004067797 0.005410526 0.006393333 0.007571429 0.013696552 0.00623662 0.006581818 0.007242105 0.003988571 0.003468657 0.004976471 0.008066667 0.004 0.006407018 0.006433333 0.004178462 0.009008333 0.004816667 0.00395942 Spermidine 0.009885714 0.00852 0.012034286 0.004721569 0.009319149 0.013445161 0.00569863 0.012091429 0.013306667 0.016336 0.007144615 0.0048768 0.008155556 0.008094815 0.011894737 0.008784615 0.004807767 0.016832 0.009712 0.0044 0.005714286 0.005008 0.008690909 0.008445283 0.006535065 0.007248485 0.004574757 0.006109091 0.007082353 0.009821277 0.009448889 0.006529412 0.003767213 0.012315152 0.005763855 0.007818182 0.00686 0.005569925 0.006855932 0.007326316 0.006598333 0.00847381 0.012058621 0.005116901 0.006314545 0.008915789 0.004914286 0.005159701 0.005342647 0.00905 0.005937931 0.006050877 0.00785625 0.005138462 0.007239583 0.007172917 0.005024638 Spermine 0 0.021146667 0 0.011572549 0.025931915 0.038477419 0 0 0 0 0.018769231 0.010176 0.022303704 0.02 0.031768421 0 0 0 0.024688 0.0101664 0.014533333 0.012204 0.023345455 0.022641509 0.015771429 0.017884848 0.01176699 0.015833766 0.017847059 0 0.026888889 0 0 0.035757576 0.014525301 0 0.034172308 0.014688722 0.03540339 0.041873684 0.03124 0.056457143 0.123765517 0.039374648 0.025592727 0.038884211 0.037811429 0.037743284 0.028558824 0.070955556 0.036386207 0.028849123 0.063766667 0.046098462 0.044516667 0.052391667 0.024284058 1,5-Anhydrosorbitol 117.8809524 107.5166667 132.4285714 254.7745098 183.6808511 757 254.4794521 555.1428571 331.2 810.28 382.8307692 109.6 170.037037 279.1111111 410.4736842 103.2307692 263.0679612 1135.32 322 143.096 345.4166667 182.7 503.9636364 338.0754717 308.5714286 470.6969697 129.592233 180.8831169 611.6323529 649.893617 156.1555556 658.0294118 249.8360656 20368.09091 554.6626506 260.4 1618.184615 432.6466165 768.7118644 981.1052632 0 0 2000.37931 1283.028169 904.6727273 1226.447368 976.7 338.8208955 1127.617647 0 647.3965517 639.3333333 800.0208333 822.8153846 1844.25 1810.354167 351.6666667 2-Hydroxy-3-methylbutyric acid 47.02380952 21.2 41.48571429 31.59803922 46.9787234 50 16.54794521 40 68.26666667 98.52 35.06153846 41.2 23.40740741 33.55555556 20.68421053 28.90384615 21.95145631 61.6 43.54 13.04 56.72619048 20.92 33.49090909 24.11320755 28.79220779 26.66666667 23.82524272 24.93506494 40.95588235 29.53191489 40.04444444 15.20588235 16.62295082 61.3030303 40.13253012 27.56363636 83.58461538 24.84210526 30.27118644 29.8245614 47.58333333 32.04761905 49.27586207 56.01408451 18.4 42.21052632 20.65714286 30.97014925 56.13235294 35.94444444 40.63793103 37.80701754 25.54166667 20.27692308 25.66666667 45.16666667 28.73913043 2-Hydroxybutyric acid 163 167.2833333 492.5428571 143.0294118 241.8085106 271.8709677 170.1780822 342.0857143 265.8666667 240.84 192.0769231 133.312 182.5925926 239.5407407 143.1578947 212.1153846 147.5145631 200.72 470.36 72.968 136.5714286 171.71 278.6909091 217.0377358 182.4025974 129.4393939 174.5825243 181.6233766 155.2647059 199.893617 303.4222222 68.52941176 133.4016393 448.8181818 216.4096386 255.9090909 188.1846154 52.06766917 93.08474576 149.7368421 297.1833333 146.8571429 139.3103448 134.028169 173.9636364 200.2105263 271.0142857 75.52238806 59.77941176 277.9166667 197.5862069 184.3333333 185.7291667 117.7230769 172.4791667 287.7291667 108.3913043 2-Hydroxypyridine 1586.166667 785.85 1508.057143 546.5980392 1041.595745 1992.322581 663.0684932 1584.942857 2184.166667 2340.36 986.7692308 440.84 1090.851852 840.5333333 1201.815789 1145 467.184466 2206.08 1350.18 470.192 801.4285714 592.32 1217.472727 1129.754717 772.7532468 926.5 614.0485437 774.8961039 755.1764706 1297.574468 1296.488889 887.6911765 469.3770492 1160.969697 755.5060241 1108.6 1673.6 793.1503759 2245.864407 3471.807018 3544.933333 2985.97619 3616.793103 1699.239437 2449.090909 3083 1582.457143 1634.940299 1468.955882 3292.805556 2050.327586 1564.087719 2626.666667 1651.492308 2299.0625 2579.375 1698.217391 3-hydroxypyridine 75.5952381 35.51666667 78.68571429 28.15686275 47.78723404 93.16129032 31.56164384 74.31428571 109.1666667 90.76 44.56923077 19.696 51.44444444 39.65925926 58.84210526 55.67307692 22.99029126 111.52 61.26 22.272 40.19047619 28.43 61.47272727 53.20754717 36.93506494 45.15151515 30.19417476 38.06493506 36.42647059 59.57446809 61.55555556 41.33823529 23.28688525 60.21212121 35.65060241 53.78181818 51.43076923 27.43609023 74.49152542 70.29824561 96.13333333 51.11904762 86.51724138 43.87323944 0 78.89473684 23.2 41.59701493 37.79411765 76.86111111 50.84482759 40.75438596 64.75 43.29230769 0 49.875 37.82608696 3-Methyl-2-oxovaleric acid 35.66666667 18.38333333 19.6 9.205882353 32.59574468 30.4516129 9.657534247 30.88571429 30.6 13.44 25.98461538 34.376 21.2037037 23.11111111 0 30.48076923 18.17475728 46.04 27.76 7.192 10.9047619 20.06 15.74545455 23.96226415 23.50649351 22.25757576 13.02912621 28.03896104 21.83823529 26.06382979 36.33333333 29 36.91803279 41.87878788 19.02409639 10.36363636 66.44615385 73.21052632 81.27118644 110 138.5333333 0 0 93.01408451 10.70909091 31.57894737 49.95714286 61.31343284 122.0147059 30.80555556 70.46551724 59.15789474 79.9375 56.55384615 24.5625 112 65.5942029 Alpha-ketoisovaleric acid 125.5 84.15 114.6571429 48.69607843 124.7446809 137.9677419 71.87671233 87.57142857 116.5333333 88.8 98.47692308 63.48 79.53703704 92.4 85.81578947 107.2115385 48.99029126 107.68 115.92 28.6 74.32142857 30.43 69.94545455 70.77358491 107.7662338 89.93939394 56.51456311 123.1298701 123.5882353 102.8085106 88.08888889 63.98529412 79.60655738 146.5454545 94.1686747 77.01818182 44.84615385 37.19548872 50.6440678 44.42105263 54.38333333 0 0 53.5915493 124.3454545 0 120.4714286 28.88059701 113.9117647 0 76.94827586 63.96491228 0 0 125.9375 118.4166667 42.47826087 Alpha-Lactose 10.57142857 0 11.17142857 4.980392157 10.87234043 5.741935484 4.671232877 4.485714286 11.03333333 0 11.52307692 1.984 3.518518519 4.681481481 11.39473684 9.653846154 4.378640777 6.96 0 1.296 11.92857143 4.94 9.145454545 8.716981132 3.467532468 5.287878788 2.747572816 5.233766234 14.19117647 2.723404255 0 0 2.926229508 7.96969697 3.301204819 13.47272727 15 4.481203008 5.796610169 34.52631579 12.93333333 30.02380952 13.31034483 42.76056338 5.654545455 8.184210526 4.328571429 8.552238806 12.5 6.194444444 5.344827586 22.66666667 16.91666667 5.753846154 16.27083333 11.66666667 10.7826087 Arachidic acid 10.33333333 2.333333333 10.97142857 10.33333333 6.382978723 9.096774194 9.01369863 10.65714286 9.9 13 0 5.064 11.05555556 8.577777778 10.71052632 8.115384615 4.873786408 9.48 7.68 5.64 7.845238095 6.68 6.145454545 10.32075472 8.272727273 9.090909091 5.67961165 7.402597403 6.720588235 6.893617021 7.155555556 7.308823529 5.524590164 5.090909091 7.34939759 6.6 15.43076923 20.28571429 16.16949153 13.63157895 9.25 19.35714286 24.27586207 8.309859155 12.94545455 17.92105263 12.41428571 12.34328358 9.411764706 16.11111111 11.53448276 7.789473684 14.5625 7.369230769 10.20833333 14.875 5.391304348 Arachidonic acid 6.261904762 8.283333333 10.02857143 8.029411765 3.723404255 0 9.356164384 7.657142857 0 0 4.615384615 5.336 8.018518519 9.348148148 4.394736842 3.173076923 5.106796117 0 6.04 6.352 6.380952381 5.07 5.4 7.981132075 8.935064935 6.727272727 6.116504854 7.675324675 4.735294118 5.276595745 4.888888889 5.602941176 4.393442623 3.090909091 4.686746988 9.6 12.18461538 6.646616541 15.89830508 12 13.38333333 21.0952381 22.24137931 14.88732394 12.65454545 16.13157895 14.44285714 15.89552239 10 15.22222222 12.44827586 8.877192982 20.1875 13.50769231 14.22916667 16.52083333 9.913043478 Benzoic acid 268.8571429 30.21666667 247 100.8823529 158.2553191 63.4516129 122.7534247 287.9714286 170.1333333 155.4 66.4 92.776 61.51851852 48 19.10526316 218.0192308 42.45631068 391.12 96.52 26.272 51.35714286 40.36 95.47272727 109.8490566 126.0779221 65.1969697 40.10679612 109.8051948 73.55882353 101.212766 226.7555556 45.17647059 23.55737705 105.2121212 38.1686747 51.16363636 148.0461538 67.09774436 123.9830508 98.35087719 82.1 128.5714286 142.2413793 66.90140845 78.2 126.6052632 117.2285714 97.76119403 63.45588235 74.05555556 73.96551724 179.5789474 0 68.41538462 112 80.125 0 Beta-Alanine 4.666666667 4.583333333 8.114285714 7.156862745 14.42553191 14.35483871 5.98630137 9.914285714 10.43333333 13.32 11.15384615 6.784 7.037037037 7.540740741 9.210526316 10.90384615 6.330097087 16 9.36 4.744 7.869047619 6.16 11.2 11.66037736 8.714285714 8.96969697 3.436893204 8.753246753 10.08823529 12.46808511 11.84444444 8.588235294 7.18852459 15.27272727 7.554216867 11.54545455 9.553846154 4.428571429 7.525423729 6.403508772 5.883333333 7.119047619 5.620689655 6.070422535 4.181818182 7.605263158 4.328571429 4.417910448 5.955882353 5.722222222 9.155172414 6.596491228 5.083333333 5.523076923 4.25 3.666666667 4.811594203 Caproic acid 15.07142857 11.06666667 7.285714286 8.990196078 15.72340426 12.93548387 7.821917808 7.742857143 13.76666667 13.32 12.33846154 8.072 9.666666667 11.12592593 7.947368421 0 8.427184466 14.88 11 6.816 15.0952381 12.45 12.76363636 7.943396226 13.79220779 13.8030303 10.4368932 14.22077922 14.5 8.680851064 11.75555556 12.47058824 8.032786885 8.363636364 10.39759036 9.436363636 11.78461538 0 0 15.66666667 12.5 20.76190476 24 16.16901408 17.89090909 15.5 17.57142857 16.47761194 13.77941176 14.36111111 14.68965517 9.192982456 16.10416667 10.27692308 12.47916667 15.5625 14.05797101 Carnosine 13.26190476 14.1 67.6 9.323529412 49.21276596 17.74193548 14.23287671 18.31428571 52.56666667 0 66.75384615 10.36 17.62962963 16.9037037 80.60526316 17.61538462 55.05825243 19.88 17.88 10.952 47.19047619 13.33 44.70909091 18.32075472 15.66233766 17.25757576 35.73786408 16.01298701 19.20588235 15.65957447 16.4 17.61764706 12.00819672 17.93939394 15.63855422 20.16363636 62.67692308 19.39849624 79.37288136 89.0877193 88.25 108.7619048 182 90.12676056 107.1272727 161.4736842 94.84285714 92.34328358 98.69117647 190.3611111 130.1896552 124.2807018 165.2916667 101.9846154 163.6875 184.625 111.942029 Citric acid 43859.07143 35324.88333 51679.97143 12619.61765 39338.23404 56695.67742 28567.75342 59972.97143 62552.4 57433.4 32461.75385 13866.176 36235.18519 27289.37778 24215.07895 40058.94231 19311.12621 85662.48 41511.58 6938.072 25069.86905 19973.83 31372.14545 26354.41509 27277.49351 26990.78788 14663.41748 27404.07792 26904.64706 24051.61702 40059.13333 17386.97059 16141.68033 23574.09091 22058.3012 32762.30909 6557.538462 891.9849624 6353.779661 7338.017544 9436.033333 7329.714286 28207.41379 6969.619718 15052.23636 10260.55263 7358.485714 9057.835821 13238.35294 15380.63889 9027.87931 12712 9799.8125 10762.56923 14059.83333 18320.375 9557.826087 Creatinine 34.85714286 68.23333333 56.54285714 80.6372549 89.4893617 58.93548387 60.05479452 47.97142857 22.5 0 98.64615385 132.8 61.48148148 73.65925926 57.26315789 56.25 63.14563107 45 51.78 62.808 117.5833333 154.14 51.58181818 69.26415094 68.79220779 98.96969697 77.67961165 160.6493506 69.5 32.85106383 41.55555556 35.35294118 131.6311475 55.15151515 93.40963855 0 84.04615385 91.51879699 16.23728814 25.98245614 26.66666667 38.66666667 26.96551724 64.57746479 42.12727273 31.55263158 37.48571429 27.47761194 88.98529412 23.44444444 63.74137931 29.24561404 17.04166667 32.72307692 31.45833333 35.41666667 24.50724638 D-2-Hydroxyglutaric acid 101.452381 26.9 87.68571429 17.56862745 70.95744681 98.58064516 32.50684932 81.97142857 98.26666667 177.96 30.16923077 12.016 30.27777778 24.5037037 72.39473684 39.98076923 13.0776699 112.12 37.16 7.088 11.47619048 12.6 26.74545455 29.03773585 22.85714286 18.21212121 8.699029126 21.48051948 23.20588235 32.38297872 43 29.19117647 11.75409836 82.42424242 18.69879518 27.05454545 41.50769231 5.646616541 24.40677966 21.19298246 18.48333333 40.35714286 108 13.54929577 37.41818182 39.05263158 17.02857143 8.925373134 26.69117647 60.02777778 28.48275862 25.92982456 41.85416667 19.98461538 38.25 37.5 14.95652174 D-Fructose 40835.09524 19935.3 35904.48571 14427.41176 24922.10638 19735.32258 19250.89041 41002.97143 45686.7 5715.08 12775.06154 6879.664 18723.87037 19574.07407 22638.44737 21830.86538 9527.126214 49032.24 16859.02 5865.92 13105.03571 14996.53 26489.21818 25806.50943 18813.28571 20272.60606 9420.281553 18506.20779 12522.76471 17914.19149 30819.06667 24048.08824 8632.286885 41134.84848 18707.20482 23544.58182 7390.230769 5236.157895 4254.40678 17509.59649 19023.4 18486.64286 23160.27586 15560.95775 17762.6 31920.97368 11066.5 8338.61194 14343.79412 14201.27778 19537.84483 14979.35088 21565.625 16870.04615 23358.22917 7136.270833 12204.2029 D-Galactose 7716.309524 8029.016667 11148.94286 4013.22549 6980.489362 11051.83871 5901.945205 10241.2 10628.13333 10196.8 5496.215385 3589.536 19099.40741 6284.681481 14080.52632 7126.75 3591.805825 12422.96 7790.42 9456.544 4458.845238 6512.69 6549.472727 7216.962264 5372.831169 6997.242424 3587.495146 4985.571429 5371.029412 7337.893617 16896.64444 5625.397059 10778.67213 10728.60606 6710.843373 7348.327273 1266.323077 2157.473684 6930.237288 4703.105263 3702.316667 4958.238095 6373.62069 5279.253521 3470.509091 6505.052632 5830.571429 0 4615.029412 6365.861111 3391.655172 2401.017544 3056.229167 3916 7026.666667 6430.979167 4389.57971 D-Glucose 27461.88095 20873.76667 31964.68571 11987.32353 21207.97872 33684.67742 14002.21918 30563.97143 33985.66667 41545.76 14237.24615 7965.08 19099.40741 17202.71111 23600.07895 20495.76923 12516.19417 32861.08 20341.2 9456.544 12003.11905 10291.39 18812.8 17590.26415 13254.25974 17596.22727 11800.43689 15014.14286 13765.48529 22114.82979 16792.26667 15354.73529 10778.67213 32227.9697 13472.80723 16863.69091 5374.276923 1704.24812 2845.135593 4638.701754 2420.8 4050.833333 12207.93103 4399.873239 4752.4 3780.921053 2359.685714 3199.925373 3571.808824 6193.194444 1680.017241 4322.070175 10043.47917 4891.030769 4090.270833 4879.8125 4389.57971 D-Threitol 247.1904762 113.6833333 97.6 44.68627451 261.6382979 324.1935484 68.65753425 212.3142857 280.2 197.72 106.3692308 46.128 106.5185185 112.3555556 239.2894737 198.9038462 52.48543689 567.52 133.76 36.456 83.51190476 62.61 44.72727273 71.11320755 103.8961039 132.5454545 36.09708738 101.8441558 124.5294118 179.1914894 241.3555556 109.8970588 47.41803279 264.4242424 47.69879518 116.6363636 227.8153846 36.7593985 149.8813559 118.754386 112.9 176.3571429 198.7931034 88.43661972 93.54545455 135.4210526 44.61428571 85.14925373 132.5588235 241.6666667 170.2931034 136.6140351 208.7291667 114.8307692 198.9166667 182.1875 59.47826087 D-Xylose 51.47619048 28.63333333 58.68571429 21.81372549 54.93617021 68.90322581 23.42465753 51.68571429 61.73333333 98.04 35.73846154 15.352 7.481481481 31.00740741 44.63157895 35.90384615 16.5631068 92.4 38.8 9.208 26.5 21.72 45.94545455 34.41509434 29.92207792 30.31818182 9.495145631 26.68831169 34.13235294 45.9787234 56.55555556 59.58823529 18.29508197 35.87878788 21.01204819 39.61818182 39.18461538 14.4962406 24.16949153 55 49.05 60.64285714 60.79310345 40.16901408 41.23636364 60.57894737 24.65714286 43.58208955 25.08823529 48.61111111 44.17241379 33.05263158 38.25 33.29230769 27.5625 37.02083333 21.33333333 Docosahexaenoic acid 5.642857143 3.366666667 9.971428571 5.235294118 0 0 4.698630137 0 0 0 4.107692308 5.424 6.962962963 8.903703704 5.342105263 0 2.165048544 0 7.44 2.432 3.857142857 4.43 5.090909091 7.20754717 5.207792208 3.439393939 2.611650485 3.168831169 3.941176471 4.957446809 7 4.073529412 4.450819672 7.363636364 2.686746988 5.854545455 10.49230769 1.413533835 6.915254237 6.859649123 6.216666667 6.261904762 11.20689655 4.056338028 4.436363636 6.552631579 10.24285714 7.089552239 10.30882353 7.833333333 7.844827586 13.22807018 17.02083333 8.6 12.52083333 9.458333333 6.449275362 Dodecanoic acid 20.19047619 8.2 24.14285714 10.84313725 19.34042553 15.77419355 6.356164384 15.94285714 25.83333333 22.36 10.16923077 7.68 14.87037037 14.62222222 13.34210526 15.42307692 7.572815534 26.52 15.8 7.696 19.11904762 6.85 35.85454545 16.16981132 11.57142857 8.878787879 12.65048544 14.2987013 12.55882353 26.9787234 26.17777778 21.32352941 7.286885246 38.33333333 12.26506024 22.83636364 15.36923077 7.195488722 5.711864407 12.77192982 6.6 12.45238095 21.13793103 12.5915493 9.763636364 22.36842105 19.25714286 9.686567164 10.01470588 0 6 15.10526316 15.27083333 5.861538462 8.333333333 14.5 7.173913043 Erythrose 32.92857143 7.583333333 52.65714286 0 30.87234043 53.74193548 7.410958904 34.68571429 76.83333333 100 67.26153846 14.608 18.14814815 113.6148148 25.94736842 164.9038462 6.398058252 102.6 14.84 7.08 148.9404762 16.25 24.76363636 15.54716981 130.4285714 147.6515152 30.7961165 36.71428571 120.2205882 19.12765957 20.06666667 73.19117647 8.852459016 87.27272727 102.5180723 9.872727273 93.81538462 197.2180451 88.93220339 101.0877193 19.43333333 105.047619 105.7241379 177.056338 101.6181818 166.7631579 116.0714286 30.52238806 140.7941176 0 93.51724138 90.59649123 87.29166667 109.8307692 102.2083333 124.0625 104.5507246 Fumaric acid 106.2857143 116.2166667 0 0 7.127659574 0 140.630137 0 15.93333333 0 194.3230769 0 4.166666667 0 0 5.673076923 0 0 5.56 114.64 0 2.5 0 7.037735849 0 0 0 0 0 8.659574468 13.15555556 0 0 0 0 256.8 30.73846154 8.067669173 15.3220339 9.50877193 13.21666667 18.16666667 14.79310345 11.52112676 7.163636364 13.86842105 8.328571429 9.089552239 18.13235294 13.27777778 18.22413793 5.684210526 12.08333333 9.323076923 11.25 12.77083333 8.289855072 Galactonic acid 0 8.366666667 0 0 0 0 0 0 0 0 13.93846154 7.552 0 0 18.86842105 0 11.02912621 0 0 5.896 0 0 0 0 0 0 0 10.67532468 0 0 0 32.32352941 9.459016393 0 12.34939759 16.89090909 2.369230769 0.706766917 8.271186441 0 0 10.4047619 0 3.309859155 10.38181818 14.94736842 0 6.910447761 7 20.44444444 6.672413793 0 0 4.8 0 0 2.202898551 Glutaric acid 33.78571429 13.68333333 38.42857143 16.28431373 40.14893617 20.90322581 8.575342466 37.68571429 71.36666667 54.56 26.70769231 4.288 12.72222222 9.911111111 33 7.692307692 11.48543689 62.48 33.48 10.304 15.80952381 10.33 24.23636364 27.01886792 16.63636364 10.07575758 10.29126214 15.44155844 22.27941176 41.80851064 33.26666667 8.838235294 9.106557377 43.63636364 15.48192771 21.61818182 57.95384615 42.63157895 132.6440678 91.45614035 43.38333333 74.57142857 135.9655172 45.42253521 0 86.97368421 27.25714286 41.73134328 22.54411765 42.66666667 32.10344828 26.07017544 27.95833333 14.12307692 0 32.89583333 17.01449275 Glyceric acid 119.2142857 56.41666667 130.5142857 42.55882353 128.5106383 114.7741935 48.26027397 124.8 162.5333333 203.56 83.01538462 49.328 61.2037037 80.65185185 117.9736842 89.48076923 68.2038835 175 95.96 45.48 74.96428571 63.6 110.3090909 87.90566038 75.76623377 81.39393939 65.25242718 78.33766234 88.27941176 129.2553191 107.6888889 102.1323529 54.80327869 214.7272727 72.65060241 78.12727273 71.18461538 68.05263158 123.0677966 86.61403509 102.75 163.7142857 174.137931 84.5915493 68.47272727 133.9210526 69.94285714 83.74626866 72.20588235 138.1388889 84.44827586 62.1754386 60.125 62.93846154 45.9375 58.35416667 44.23188406 Glycerol 0 2848.183333 1742.142857 256.5686275 675.893617 1280.483871 441.0273973 679.4857143 3710.7 4064.84 577.7076923 340.896 936.6666667 913.2888889 789.7631579 1066.557692 264.6990291 8350.68 1110.38 417.368 549.0833333 377.87 3586.472727 1074.962264 971.5064935 283.7878788 272.9029126 574.0909091 1000.838235 1299.404255 1150.133333 959.7352941 208.5163934 1574.393939 721.4939759 962.9090909 545.1846154 196.3233083 426.6440678 272.3684211 351.5666667 746.7857143 1414.37931 408.2112676 391.6 760.7368421 350.3857143 264.1492537 360.6764706 261.7222222 493.9137931 0 491.2916667 421.9230769 191.125 443.1041667 273.5797101 Glycerol 3-phosphate 6.595238095 4.15 12.57142857 3.539215686 6.127659574 0 4.356164384 13.34285714 3.8 2.64 1.8 3.56 5.12962963 18.13333333 5.657894737 6.980769231 3.708737864 0 5.46 3.392 1.69047619 1.62 13.8 0 6.246753247 2.333333333 3.495145631 3.285714286 4.294117647 2.978723404 5.844444444 3.323529412 3.983606557 30.90909091 2.385542169 2.127272727 11.38461538 7.954887218 0 0 0 0 0 9.14084507 0 0 6.685714286 5.626865672 13.27941176 0 10.75862069 5.684210526 1.479166667 0 12.70833333 3.604166667 0 Glycine 2038.571429 1594.616667 1841.228571 1397.627451 3199.191489 2318.354839 1129.863014 2431.885714 2390.7 2114.52 2077.876923 1022.12 1398.277778 1371.659259 1909.289474 2081.923077 1117.873786 2628.8 1832.32 1445.872 1879.928571 1156.28 2354.072727 2121.490566 1611.480519 1703.893939 1686.203883 1787.272727 2130.558824 3126.957447 1812.155556 1332.897059 1151.196721 3089.242424 1532.686747 1651.254545 2250.538462 1059.398496 2134.457627 1469.280702 1452.15 2034.690476 1464.862069 1459.366197 1011.363636 1758.078947 1104.171429 1153.462687 1365.985294 1615.25 1294.034483 1250.157895 1407.104167 1139.261538 1319.25 1289.083333 939.6376812 Glycolic acid 651.8809524 275.9166667 479.6571429 200.0098039 729.9361702 695.7419355 200.6438356 499.7428571 711.0666667 626.36 413 158.112 314.6666667 353.7185185 479.3421053 467.5384615 166.5728155 992.6 394.32 139.968 318.7738095 189.71 362.3636364 321.245283 310.2337662 363.8333333 178.8543689 320.7922078 424.6323529 493.893617 574.5555556 469.3676471 200.352459 715.9393939 247.6987952 364.8909091 544.0153846 130.443609 340.4745763 391.6491228 356.5333333 798.1190476 912.1034483 428.3521127 501.3272727 775.1052632 386.0142857 486.4477612 566.5882353 871.1944444 723.3275862 390.4210526 479.4791667 354.5384615 532.7291667 547.3541667 315.5362319 Indoxyl sulfate 0 0 6.914285714 4.294117647 0 10.67741935 5.698630137 11.85714286 19.33333333 16.96 1.892307692 3.248 3.777777778 4.325925926 5.078947368 3 3.300970874 4.64 0 4.136 1.416666667 4.04 2.909090909 8.547169811 4.61038961 10.66666667 5.689320388 7.688311688 5.985294118 7.361702128 4.622222222 3.941176471 4.762295082 7.454545455 5.506024096 5.018181818 26.72307692 26.56390977 11.59322034 78.87719298 33.31666667 6.547619048 6.896551724 6.816901408 4.472727273 10.13157895 3.5 4.895522388 2.838235294 5.694444444 4.827586207 2.859649123 0 5.169230769 2.854166667 12.16666667 6.202898551 Isocitric acid 25816.83333 15085.01667 24997.88571 8188.911765 14640.21277 32974.6129 12442.46575 21179.28571 37142.73333 43389.36 17989.12308 2759.712 19145.35185 9284.222222 28143.13158 21674.17308 10272.21359 44599.04 35351.06 5384.992 1426.511905 10593.39 20844.21818 34706.88679 12161.32468 7221.833333 8283.854369 15560.11688 11111.61765 24102.91489 27884.93333 15295.39706 4694.139344 44225.30303 6780.156627 22227.90909 6557.538462 3589.496241 6353.779661 8415.368421 8871.75 22538.66667 28207.41379 7460.859155 15052.23636 8801.631579 2000.028571 9057.835821 13238.35294 15380.63889 9027.87931 12712 12862.20833 6853.569231 14059.83333 18320.375 9557.826087 L-Alanine 2194.357143 2692.05 3797.028571 1301.490196 3101.914894 1323.806452 2483.60274 1022.257143 1984.166667 799.6 1806.076923 1657.528 911.8148148 1348.503704 4443.210526 1610.673077 2622.067961 1624.84 1341.92 1056.056 1125.321429 978.7 1031.8 1269.90566 1560.974026 1067.287879 714.3786408 1525.402597 1741.911765 2050.468085 1468.155556 1070.382353 1418.065574 2411.212121 1412.975904 1120.854545 2939.369231 498.6691729 1053.355932 1654.403509 1458.183333 2834.095238 2733.724138 1517.661972 2413.763636 3066.868421 1718.842857 1725.895522 3353.411765 2413.305556 3229.275862 1824.210526 2530.791667 2222.446154 2587.395833 2530.291667 2588.26087 L-Alloisoleucine 1075.738095 748.8833333 1278.085714 600.1078431 1282.765957 1648.645161 672.7808219 1037.685714 860.6 1095.6 718.7692308 448.12 559.0555556 786.3407407 853.3947368 885.1538462 518.3300971 1039.44 948 448.096 681 450.98 860.3090909 845.9056604 646.4155844 565.1666667 368.7087379 497.6233766 990.2941176 1009.297872 894.8666667 613.0147059 423.0901639 1553.575758 753.5903614 899.9636364 729.1692308 271.8947368 385.8813559 439.2982456 316.8333333 485.1190476 618.5172414 290.6338028 514.5454545 611.5526316 463.3857143 206.4179104 505.7205882 494.5555556 335.2413793 632.245614 497.5 360.3230769 435.1875 639.6458333 361.7101449 L-Alpha-aminobutyric acid 107 139.45 279.2285714 73.19607843 232.1489362 139.7096774 133.3424658 117.3714286 127.3666667 100.16 141.4923077 118.352 88.83333333 139.3333333 222.4736842 153.9807692 26.19417476 0 222.42 71.968 69.10714286 123.33 112.8 107.3207547 139.4545455 66.12121212 79.54368932 199.4155844 111.3970588 109.4893617 100.3777778 56.88235294 68.26229508 305.5757576 77.28915663 161.0363636 1464.261538 1187.62406 2699.254237 2143.684211 3196.566667 470.6904762 850.3103448 536.9295775 460 767.0789474 421.5142857 366.0895522 571.0294118 773.3055556 494.2586207 326.8596491 672.9166667 417.0153846 518.8541667 763.1875 378.5507246 L-Arabitol 73.52380952 29.15 53.28571429 26.19607843 62.53191489 76.70967742 28.7260274 61 66.43333333 82.44 31.35384615 16.28 36.48148148 25.22962963 43.47368421 22.46153846 13.69902913 79.76 35.8 12.944 20.39285714 21.28 32.41818182 31.58490566 25 30.33333333 16.0776699 26 27.66176471 39.55319149 46.66666667 29.45588235 16.45901639 72.18181818 27.4939759 44.8 52.12307692 18.39849624 38.16949153 39.10526316 38.3 39.16666667 39.79310345 28.47887324 25.54545455 33.60526316 24.17142857 23.05970149 31.32352941 36.27777778 32.81034483 29.64912281 39.60416667 37.46153846 43.35416667 32.875 23.13043478 L-Arginine 37.71428571 26.05 33.2 27.12745098 108.3617021 58.4516129 24.84931507 44.31428571 55.8 42.16 45.93846154 27.808 21.59259259 24.65185185 21.44736842 28.36538462 17.17475728 63 41.42 29.456 25.29761905 21.68 30.89090909 48.33962264 17.03896104 34.48484848 32 28.46753247 45.14705882 50.38297872 33.13333333 14.67647059 11.2704918 99.39393939 29.24096386 36.83636364 6.076923077 4.233082707 11.94915254 4.578947368 6.933333333 11.57142857 15.75862069 12.08450704 22.63636364 25.94736842 18.77142857 12.53731343 12.89705882 17.11111111 13.15517241 15.87719298 14.04166667 30.18461538 26.70833333 22.20833333 15.91304348 L-Asparagine 37.47619048 32.46666667 36.65714286 34.06862745 72.31914894 53.5483871 30 22.57142857 56.2 43.52 40.10769231 30.712 24.68518519 37.74814815 30.15789474 50.42307692 24.18446602 57.68 58.36 43.416 36.32142857 25.2 30.09090909 32.77358491 35.2987013 27.96969697 28.69902913 36.94805195 49.58823529 56.46808511 35.15555556 26.25 24.12295082 68.3030303 40.95180723 40.61818182 6.307692308 2.616541353 5.06779661 5.719298246 5.216666667 6.214285714 8.379310345 7.830985915 8.890909091 11.23684211 7.971428571 9.074626866 1.779411765 0 6.206896552 0 3.229166667 6.476923077 6.708333333 6.5625 8.31884058 L-Aspartic acid 13.5 26.63333333 77.31428571 30.01960784 45.85106383 44.19354839 15.19178082 84.34285714 27.73333333 93.08 17.36923077 28.088 16.98148148 63.77777778 45.94736842 41.32692308 12.85436893 115.32 28.7 22.864 15.48809524 22.96 94.81818182 31.13207547 34.2987013 5.106060606 8.922330097 17.45454545 24.51470588 36.19148936 44.73333333 14.86764706 14.25409836 94.60606061 10.5060241 18.49090909 21.89230769 18.10526316 12.93220339 22.84210526 13.41666667 16.52380952 37.68965517 33.77464789 11.18181818 62.02631579 21.42857143 13.04477612 33.17647059 39.55555556 36.17241379 15.47368421 27.25 14.52307692 61.35416667 19.10416667 12.07246377 L-Cysteine 47.23809524 39.7 42.48571429 24.94117647 84.29787234 56.19354839 22.83561644 53.71428571 53.76666667 46.32 42.55384615 27.608 34.88888889 34 26.21052632 44.61538462 19.06796117 65.56 40.62 19.936 30.48809524 29.43 47.50909091 43.45283019 40.67532468 37.56060606 15.84466019 47.81818182 46.07352941 49.38297872 50.02222222 27.32352941 30.76229508 68.54545455 28.80722892 39.81818182 53.58461538 36.89473684 23.59322034 50.73684211 49.53333333 41 32.17241379 45.6056338 48.74545455 44.52631579 42.82857143 32.17910448 62.17647059 33.80555556 56.01724138 47.0877193 48.41666667 42.87692308 48.83333333 48.6875 36.53623188 L-Cystine 18.71428571 20.98333333 25.88571429 22.93137255 18.42553191 24.29032258 26.08219178 17.05714286 20.5 17.32 18.78461538 21.96 18.68518519 30.16296296 15.10526316 17.23076923 19.67961165 24.16 22.56 24.256 26.33333333 23.47 14.72727273 21.28301887 24.53246753 27.84848485 31.83495146 38.05194805 18.57352941 20.5106383 22.86666667 16.01470588 22.90983607 35.42424242 27.68674699 19.32727273 74.86153846 18.90225564 55.86440678 70.10526316 52.78333333 75.69047619 95.68965517 53.16901408 52.34545455 67.26315789 76.67142857 49.50746269 71.38235294 89.72222222 54.77586207 38.29824561 65.91666667 70.89230769 75.97916667 75 53.85507246 L-Glutamic acid 37.80952381 39.13333333 43.62857143 31.93137255 100.1702128 39.22580645 19.68493151 53.94285714 54.33333333 49.92 52.41538462 39.752 24.68518519 95.33333333 34.31578947 61.25 26.24271845 77.52 60.16 76.808 62.32142857 39.75 69.23636364 52.11320755 50.94805195 41.22727273 29.45631068 40.76623377 46.36764706 51.57446809 46.24444444 32.25 37.27868852 75.24242424 30.84337349 33.18181818 54.29230769 36.78195489 27.79661017 37.73684211 29.95 41.38095238 66.20689655 54.3943662 28.72727273 73.73684211 38.6 39.02985075 58.94117647 52.38888889 74.72413793 63.61403509 62.29166667 26.75384615 66.54166667 54.77083333 38.28985507 L-Glutamine 658.4285714 531.8333333 516.4285714 645.7058824 875.1489362 558.2903226 508.3013699 554.6285714 691.5 622.28 516.6307692 447.232 347.3333333 455.1703704 469.0526316 759.9615385 459.0097087 707.88 668.88 580.728 504.0833333 407.04 552.6545455 671.6792453 552.5974026 573.0757576 459.6699029 562.0649351 648.6470588 880.2553191 483.8888889 426.0147059 366.8278689 671.5151515 562.3373494 698.1272727 386.1692308 237.4586466 405.440678 280.0350877 298.9666667 404.7619048 339.1034483 524.1408451 274.2 699.5526316 367.8428571 542.2835821 635.25 405.8611111 500.1896552 376.8245614 402.1875 488.1692308 445.6666667 396.6666667 511.5217391 L-Lactic acid 47453.5 12539.65 13330.54286 9063.735294 24111.14894 17378.48387 10080.89041 13007.57143 27042.13333 11886.52 13402.83077 14679 20685.72222 17402.13333 13065.36842 23357.61538 16006.82524 29380.2 21775.98 10558.392 16864.7619 13938.8 14625.29091 14119.73585 20611.23377 20472.34848 8299.640777 18246.12987 19453.19118 24673.78723 22361.42222 12656.04412 17887.90984 29765.72727 17225.16867 12042.76364 5572.092308 2979.894737 4618.152542 13183.49123 4484.783333 5895.97619 16840.03448 8881.098592 7894.909091 12399.92105 10133.91429 8475.507463 11142.11765 14361.58333 10338.74138 11263.91228 14364.91667 6185.4 13642 7022.916667 6642.73913 L-Leucine 1273.02381 1008.333333 1884.485714 906.1568627 2128.978723 1898.322581 959.0684932 1329.857143 1278.433333 1388.96 958.1846154 764.312 923.5 1165.125926 1232.078947 1187.653846 848.2912621 1158.16 1615.82 737.32 950.8809524 846.54 1311.909091 1263.471698 810.5064935 779.1666667 594.3980583 828.7272727 1358.411765 1280.148936 1275.088889 710.7647059 656.7377049 2269.818182 975.1325301 1322.2 1373.292308 480.4736842 457.1864407 897.5087719 715.6 1055.190476 1345.137931 539.3380282 1191.127273 1038.210526 997.6571429 423.5223881 933.4852941 1060.555556 758.8793103 1149.210526 1006.416667 642.0307692 978.0625 1070.1875 626.173913 L-Lysine 665.0714286 666.2166667 624.3428571 468.6960784 1299.255319 937.2580645 672.1917808 647.3428571 1008.1 884.48 634.9384615 581.776 491.5555556 835.3925926 519.1578947 814.8076923 552.7669903 1256.44 915.1 850.464 474.0238095 460.24 647.5636364 602.3396226 438.3636364 512.3636364 633.3980583 520.5714286 763.0588235 1016.212766 582.6444444 0 527.795082 1346.636364 551.3614458 682.2181818 1933.507692 420.4511278 2468.830508 0 0 0 1847.724138 1144.211268 1189.090909 2147.421053 1758.542857 1267.492537 1338.676471 2371.472222 1347.741379 1194.596491 1315.083333 1336.923077 2491.645833 1456.145833 1345.724638 L-Methionine 202.3809524 104.1 154.4 106.9803922 287.0851064 196.6129032 85.82191781 162.5428571 249.2 220.84 156.3692308 75.24 127.7037037 126.4740741 145.8684211 157.5961538 81.04854369 276.88 151.86 92.84 114.6309524 87.06 143.9454545 163.6037736 105.3636364 151.8636364 82.25242718 112.4285714 154.7941176 211.8510638 142.6888889 112.2205882 70.52459016 247.5454545 135.253012 144.5272727 173.5230769 73.14285714 121.779661 139.1929825 143.7833333 155.1904762 148.9655172 109.1408451 142.7272727 185.9473684 97.57142857 102 138.6911765 143.6666667 119.8965517 137.1403509 135.2083333 127 116.3333333 131.2708333 99.69565217 L-Phenylalanine 359.0714286 239.3666667 316.6 204.0980392 521.4255319 479.9677419 165.6986301 348.2285714 489.2 474.56 265.4615385 140.176 244.3333333 259.4222222 274.6578947 325.7307692 144.9029126 572.2 298.7 193.568 229.202381 156.08 253.9636364 296.6226415 197.5974026 268.0757576 142.9805825 212.7792208 326.3088235 426.787234 293.8666667 203.7941176 138.9836066 474.8787879 230.7710843 312.4545455 394.5384615 141.4887218 338.5762712 350.8947368 333.6 580.6904762 336.1724138 277.5211268 358.4 417.2631579 255.6714286 204.0149254 309.8970588 412.5833333 322.1034483 291.2807018 317.7083333 311.7076923 295.6458333 374.375 248.3768116 L-Pipecolic acid 20.26190476 43.5 89.57142857 29.58823529 99.57446809 57.77419355 54.53424658 23.42857143 38.16666667 30.4 40.98461538 56.128 48.11111111 64.16296296 63.02631579 53.71153846 33.33980583 0 47.8 13.056 11.16666667 65.91 20.50909091 41.20754717 25.96103896 28.24242424 25.16504854 62.07792208 57.63235294 36.74468085 71.48888889 16.98529412 17.81147541 116.3939394 23.85542169 33.63636364 56.93846154 0 21 20.9122807 12.48333333 14.26190476 160.6551724 0 29.2 14.18421053 21.08571429 10.17910448 25.54411765 29.77777778 18.70689655 59.71929825 16.97916667 57.64615385 55.0625 16.08333333 11.63768116 L-Serine 646.5238095 432.1333333 486.6285714 313.254902 1010.021277 586.3225806 268.7534247 565.7142857 768.5333333 519.28 529.6307692 342.848 391 466.7111111 566.6315789 548.3653846 354.7184466 682 589.86 404.416 479.7619048 359.95 489.1818182 583.754717 492.3636364 471.5151515 319.9417476 474.3506494 701.0735294 742.7021277 456.2 312.6911765 408.0163934 1020.878788 408.1566265 520.4727273 620.2769231 231.7142857 459.5084746 385.3333333 355 444.5952381 408.6551724 116.1971831 379.6181818 623.8947368 175.8285714 361.5223881 495.6470588 499.8611111 389.9827586 431.9824561 393.9166667 326.5384615 324.125 386.8333333 341.7681159 L-Sorbose 4897.857143 19935.3 5462.685714 14427.41176 5997.787234 7656.612903 3589.109589 41002.97143 45686.7 5715.08 10636.4 6879.664 2547.722222 19574.07407 16436.78947 11996.61538 9809.68932 7888.76 12689.36 5865.92 2849.214286 14996.53 26489.21818 6288.45283 18813.28571 2546.772727 9420.281553 18506.20779 8863.264706 9633.87234 30819.06667 2653.117647 8632.286885 41134.84848 18707.20482 3204.454545 766.7846154 0 1117.118644 908.9298246 0 1554.904762 4471.310345 739.9295775 1520.618182 0 641.1428571 507.0597015 1094.617647 0 1476.517241 1479.140351 1065.395833 1237.261538 353.9791667 565.375 863.115942 L-Threonine 976.0952381 753.65 943.3428571 918.3823529 1559.319149 1325.677419 504.2876712 1056.4 1330.3 1014.28 915.3538462 815.064 626.7407407 650.3555556 856.2894737 988.5384615 434.8932039 1287.24 1138.68 722.128 814.8809524 651.01 692.1636364 916.509434 724.1688312 639.8030303 417.4854369 738.3636364 1064.897059 1085.553191 647.6222222 612.3676471 575.5409836 1324.181818 850.7108434 962.4545455 915.0615385 420.6691729 983.220339 632.7719298 641.2833333 883.9761905 652.2068966 317.1408451 764.4 927.4736842 490.0428571 359.4029851 797.8382353 741.1111111 578.7241379 529.0175439 525.3541667 589.6461538 517.1875 530.9375 570.3768116 L-Tyrosine 467.1190476 342.1666667 409.0571429 304.4215686 908.8085106 829.9677419 204.4383562 315.1142857 693.9 752.2 336.7076923 197.992 276.9259259 381.9851852 432.8421053 458.8076923 229.8932039 787.88 476.42 357.544 244.6904762 235.78 408.1090909 603.5849057 245.987013 331.9848485 226.8252427 288.6233766 509 598.1914894 549.2 318.4852941 212.5737705 767.9090909 375.7228916 559.6545455 1398.353846 322.7368421 1410.644068 0 0 0 2095.724138 1055.577465 1288.909091 2108.894737 1215.285714 1000.268657 1597.441176 1550.027778 1567.758621 855.4912281 1288.1875 912.8769231 1554.583333 1810.708333 1376.710145 L-Valine 2009 2157.533333 3451.085714 1571.156863 3581.595745 3619.806452 1831.657534 1869.914286 2159.3 1828.8 1947.661538 1485.808 1427.888889 2024.4 2808.605263 2103.038462 1600.92233 1733.48 2684.34 1111.176 1572.119048 1695.98 1806.927273 1957.415094 1684.675325 1229.545455 1065.980583 1748.675325 2463.955882 2025.702128 1922.8 1294.573529 1345.47541 4455.515152 1767.963855 1996.581818 2401.076923 935.4135338 852.779661 1670.105263 1425.733333 1588.785714 1769.517241 1023.591549 2486.436364 1884.447368 1871.985714 556.2238806 1693.926471 807.5277778 811.0344828 2002.578947 1636.041667 1214.353846 1958.75 1475.666667 448.1594203 Linoleic acid 22.21428571 11.85 15.05714286 18.25490196 25.63829787 26.09677419 19.34246575 27.28571429 32.96666667 22.04 14.26153846 14.824 10.25925926 8.681481481 26 28.13461538 14.40776699 35.36 14.08 7.856 6.702380952 6.82 41.03636364 13.37735849 8.064935065 19.27272727 14.29126214 11.87012987 20.70588235 11.36170213 15.57777778 11.02941176 4.778688525 20.6969697 7.963855422 10.10909091 18.38461538 24.7443609 47.40677966 88.52631579 24.63333333 108.1666667 66.68965517 56 48.10909091 118.3947368 62.42857143 55.25373134 53.33823529 101.6944444 44.65517241 39.66666667 65.91666667 21.41538462 50.91666667 25.39583333 50.49275362 Maleic acid 59.47619048 28.73333333 56.14285714 12.88235294 49.38297872 92.32258065 20.39726027 75.25714286 55.7 126.88 23.41538462 9.4 30.92592593 22.13333333 43.71052632 34.23076923 12 121.72 37.96 8.304 21.9047619 13.07 38.8 24.50943396 23.62337662 26.25757576 11.60194175 21.62337662 26.80882353 51.72340426 54.48888889 28.55882353 8.942622951 88.81818182 8.78313253 43.30909091 84.01538462 42.51879699 102.559322 84.70175439 92.55 123.8571429 110.8275862 74.32394366 73.05454545 113.5789474 60 64.43283582 65.86764706 114.5277778 79.74137931 86.92982456 87.54166667 72.41538462 65.70833333 71.91666667 57.1884058 Malic acid 187.1428571 110.65 229.1714286 59.44117647 158.6170213 235.516129 66.47945205 202.4285714 287.6333333 361.36 117.9076923 55.144 120.2962963 110.237037 160.2105263 171.2115385 60.9223301 390.12 151.78 44.48 86.85714286 67.59 176.6363636 136.8867925 104.5584416 115.4848485 46.41747573 19.93506494 70.63235294 172.7446809 122.4 88.79411765 54.31147541 159.1818182 46.85542169 33.4 132.1538462 41.93984962 98.98305085 97.84210526 109.3333333 151.0714286 188.7931034 88.47887324 75.43636364 42.13157895 55.72857143 79.76119403 91 144.8055556 110.2068966 69.22807018 81.1875 50.01538462 75.4375 73.95833333 58.50724638 Mannitol 224.8333333 136.6333333 316.8 127.127451 0 0 103.7808219 309 0 0 111.6923077 133.896 112.2407407 207.762963 134.5789474 99.13461538 106.368932 0 205.24 78.616 95.14285714 110.67 306.4727273 195.8301887 183.012987 68.87878788 70.97087379 138.5714286 135.2058824 0 542.0888889 145.1911765 102.442623 423.0606061 87.84337349 129.1090909 458.4 81.56390977 0 0 766.0166667 0 0 696.2394366 615.2181818 0 1090.157143 410.6268657 1016.661765 0 721.4827586 291.2105263 870.4791667 663.0923077 777.4583333 0 632.1594203 Methylcysteine 13.04761905 7.35 8.257142857 6.539215686 19.06382979 19.35483871 7.109589041 6.571428571 15.06666667 15.32 10.83076923 4.456 20.25925926 10.19259259 8.947368421 9.980769231 6.087378641 20.56 13.18 6.24 16.45238095 6.94 13.34545455 9.962264151 7.883116883 8.106060606 9.32038835 10.35064935 8.911764706 18.55319149 6.422222222 6.823529412 5.426229508 22.27272727 10.07228916 9.018181818 9.876923077 7.368421053 9.237288136 11.26315789 7.766666667 12.78571429 12.31034483 7.38028169 8.290909091 11.44736842 6.985714286 13.07462687 9.308823529 19.25 7.379310345 9.087719298 11.27083333 11.07692308 7.125 9.791666667 10.2173913 Myoinositol 423.1428571 474.1 449.9142857 319.7254902 708.106383 557.0967742 288.7123288 587.0857143 927.8666667 850.32 395.6 603.192 296.0555556 435.5703704 631.7368421 515.1730769 325.3592233 894.52 592.96 374.56 197.6071429 336.43 567.4909091 437.8490566 448.3116883 492.7272727 391.5242718 417.1428571 412.9558824 736.4680851 399.0666667 322.8970588 473.8606557 1082.787879 245.9036145 310.3272727 55.83076923 80.4962406 305.1355932 369.2982456 402.9833333 417.547619 609.2413793 88.56338028 423.9454545 411.9736842 341.1857143 338.761194 415.6470588 176.4166667 613.6034483 384.3508772 458.9375 243.7538462 120.7708333 430.7708333 252.4057971 O-Phosphoethanolamine 11.66666667 17.86666667 27.42857143 7.303921569 17.14893617 18.93548387 3.246575342 21.11428571 23.36666667 0 13.41538462 7.8 13.87037037 18.81481481 19 23.26923077 5.184466019 39.96 24.52 14.992 12.45238095 11.48 36.56363636 24.05660377 18.72727273 13.72727273 10.89320388 14.51948052 15.17647059 23.93617021 18.51111111 0 8.073770492 39.90909091 10.43373494 15.41818182 10.26153846 5.834586466 8.372881356 12.75438596 9.983333333 7.380952381 10.82758621 10.4084507 6.272727273 17.73684211 6.771428571 6.089552239 12.83823529 11.47222222 13.82758621 6.421052632 13.60416667 6.430769231 19.6875 8.875 6.028985507 Oleic acid 75.02380952 33.66666667 48.82857143 8.578431373 25.63829787 26.09677419 50.38356164 27.28571429 32.96666667 22.04 14.26153846 6.368 27.01851852 24.9037037 26 28.13461538 5.029126214 35.36 39.4 23.952 29.8452381 24.45 41.03636364 34.41509434 39.20779221 19.27272727 38.94174757 36.45454545 20.70588235 27.36170213 36.04444444 11.02941176 5.172131148 46.75757576 22.25301205 36.23636364 21.72307692 22.15037594 7.745762712 21.59649123 23.81666667 34.83333333 52.17241379 20.45070423 24.65454545 50.31578947 31.2 24.95522388 40.35294118 30.72222222 23.29310345 24.36842105 28.375 12.84615385 27.52083333 40.875 17.28985507 Ornithine 237.5952381 210 126.8571429 192.872549 317.0851064 214.7741935 191.3287671 154.1714286 150.2 0 201.9846154 245.024 158.0925926 252.2222222 202.9210526 239.6346154 167.1359223 0 241.7 388.968 265.0238095 157.01 156.4 76.62264151 222.4415584 401.2272727 279.8834951 326.5844156 270.4558824 297.3617021 98.86666667 136.8529412 209.442623 0 177.7108434 136.8 401.4615385 108.8571429 365.6440678 165.8596491 0 52.4047619 0 188.4929577 132.4727273 278.9473684 174.9857143 187.5522388 272.2352941 0 0 146.5438596 0 178.2153846 0 170.5208333 0 Palmitic acid 546.4047619 227.4333333 535.1428571 251.4705882 434.1702128 375.7096774 264.3835616 326.2285714 478.9666667 436.44 221.9538462 189.24 282.2037037 247.2888889 402.5263158 334.9423077 221.7669903 639.88 328.56 144.064 268.25 175.74 419.4181818 322.5471698 273.4805195 221.7121212 187.0873786 257.2987013 269.8823529 401.0638298 424.9555556 230.1470588 186.0819672 583.3939394 191.4578313 345.6 1168.569231 687.8571429 1292.932203 1614.333333 1220.933333 1814.5 1903.034483 1108.887324 1103.2 1807.894737 1232.185714 1257.253731 1357.176471 1913.638889 1220.137931 1347.368421 1636.333333 1028.661538 1370.083333 1688.895833 1118.478261 Pelargonic acid 36 14.38333333 34.51428571 15.98039216 39.70212766 26 11.7260274 31.11428571 32.76666667 24.76 12.75384615 15.056 14.14814815 16.11851852 22.31578947 36.13461538 10.42718447 70.88 27.6 5.216 11.46428571 9.56 13.16363636 15.64150943 20.33766234 16.36363636 6.941747573 18.16883117 17.5 18.14893617 28.06666667 10.19117647 5.860655738 29.15151515 7.843373494 22.96363636 8.246153846 3.827067669 6.406779661 6.087719298 5.566666667 8.30952381 0 2.887323944 0 5.5 3.528571429 2.104477612 4.044117647 4.75 4.413793103 25.14035088 5.541666667 2.553846154 0 2.458333333 3.014492754 Petroselinic acid 91 41.58333333 66.22857143 75.92156863 32.46808511 30.96774194 66.2739726 32.85714286 41.26666667 32.8 19.81538462 58.304 33.7962963 33.74814815 32.34210526 34.67307692 51.99029126 51.52 48.68 30.608 35.58333333 34.27 51.18181818 51.60377358 49.33766234 24.45454545 50.68932039 44.22077922 28.26470588 35.89361702 45.73333333 17.29411765 30.16393443 56.06060606 28.69879518 47.29090909 148.2307692 118.1654135 132.4067797 245.5263158 158.65 290.5 251.0689655 214.4788732 150.2545455 315.6578947 218.2285714 234.1492537 202.75 324.6944444 145.2413793 180.1578947 220.8125 119.7384615 122.6875 252.6875 117.9710145 Pyroglutamic acid 762.5952381 713.7166667 766.6285714 636.6470588 1469.042553 814.7096774 511.7671233 810.3142857 1000.9 833.44 777.4 721.288 499.9814815 1046.02963 658.1842105 1022.538462 511.2815534 1174.32 1029.36 951.344 826.2857143 660.95 910.5272727 787.3396226 842.038961 832.030303 610.8543689 768.3376623 919.5882353 1030.978723 684.9555556 576.9411765 652.7131148 1067.151515 599.3614458 693.5090909 1065.2 710.7593985 781.9661017 822.2105263 737.4833333 852.3809524 976.2413793 789.3239437 495.9090909 1229.763158 790.6285714 689.5671642 954.8382353 974.1944444 778.6896552 562.245614 756.1458333 628.8615385 780.4375 794.8125 617.115942 Pyruvic acid 1159 444.2833333 399.4 195.3529412 1048.829787 896.1290323 230.3013699 522.4857143 746.8 294.4 388.5230769 325.424 463.0740741 580.3259259 761.7105263 1019.653846 250.3300971 1398.52 490.34 137.776 456.3928571 297.7 282.5272727 335.245283 695.0909091 670.0454545 119.4951456 592.5454545 568.9558824 621.5957447 826.7555556 368.3823529 424.647541 628.2424242 238.6506024 335.1454545 1965.384615 111.9022556 313.4067797 528.8245614 602.95 637.3095238 559.3448276 390.5915493 520.7090909 433.2368421 280.5571429 333.7910448 812.1323529 812.0833333 1246.62069 445.3508772 772.7708333 383.0307692 795.7708333 643.7291667 298.2463768 Ribitol 60.76190476 47.76666667 56.37142857 21.81372549 102.3829787 58.93548387 37.45205479 28.65714286 71.33333333 47.92 32.53846154 12.08 31.2037037 35.12592593 44.97368421 50.98076923 24.91262136 49.76 45.32 26.664 28.36904762 29.39 27.50909091 52.86792453 33.14285714 28.09090909 35.13592233 14.7012987 59.19117647 62.12765957 43.15555556 45.94117647 25.83606557 80.96969697 37.61445783 46.49090909 13.67692308 5.932330827 37.55932203 4.929824561 0 11.9047619 9.448275862 8.492957746 9.290909091 8.105263158 8.214285714 2.731343284 10.76470588 5.666666667 8.034482759 5.403508772 6.395833333 8.446153846 5.1875 11.20833333 8.68115942 Ribonolactone 64 32.43333333 102.6285714 29.89215686 71.74468085 107 28.54794521 96.91428571 116.7666667 194.84 55.16923077 21.24 48.72222222 35.40740741 57.21052632 36.38461538 25.03883495 142.36 65.36 26.568 36.8452381 23.14 71.23636364 57.8490566 23.85714286 28.56060606 18.27184466 24.62337662 48.39705882 67.78723404 86.86666667 90.07352941 25.20491803 178.0909091 37.84337349 68.67272727 47.72307692 16.69924812 58.27118644 97.96491228 81.13333333 87.02380952 233.2413793 67.1971831 58.36363636 174.8684211 66.02857143 62.35820896 35.94117647 149.8055556 51.56896552 41.56140351 54.85416667 56.18461538 33.47916667 78.625 49.63768116 Sorbitol 224.8333333 136.6333333 316.8 127.127451 0 0 103.7808219 309 0 0 49.49230769 133.896 112.2407407 122.1925926 134.5789474 120.9230769 106.368932 0 112.12 11.992 38.77380952 110.67 114.2363636 69.69811321 183.012987 68.87878788 70.97087379 23.33766234 78.44117647 0 542.0888889 44.92647059 102.442623 423.0606061 87.84337349 129.1090909 458.4 81.56390977 0 0 766.0166667 0 0 696.2394366 615.2181818 0 1090.157143 410.6268657 1016.661765 0 721.4827586 291.2105263 870.4791667 663.0923077 777.4583333 0 632.1594203 Stearic acid 173.0238095 170.2166667 200.1142857 148.9117647 161.1702128 154.9677419 172.7671233 128.0857143 176.9666667 153.64 103.6923077 124.592 118.4444444 134.6962963 123.7894737 114.9038462 146 201.96 120.32 109.152 115.6785714 128.85 136.9454545 111.8113208 118.7662338 113.7272727 142.9708738 120.2987013 110.1617647 167.893617 154.9111111 92.73529412 109.8606557 176.969697 91.1686747 124.8181818 477.7692308 350.5338346 500.2033898 532.3684211 484.9666667 643.952381 625.6896552 390.7464789 426.1818182 624.1315789 437.3857143 459.2985075 474.7205882 634 481.5344828 479.4210526 575.3541667 448.5384615 581 597.6666667 435.2173913 Taurine 211.9761905 154.95 174.9714286 74.50980392 157 134.9354839 4.97260274 132.7142857 133.7666667 211.64 118.3692308 17.064 0 13.0962963 141.4210526 246.1730769 6.834951456 409.28 305.54 200.72 182.452381 167.9 44.30909091 232.1320755 286.3376623 18.21212121 97.21359223 237.4415584 172.4852941 231.2765957 196.1111111 107.5441176 122 361.7272727 147.060241 204.3636364 278.6153846 78.52631579 70.74576271 187.1403509 145.0833333 130.3333333 124.137931 142.8028169 85.78181818 219.0263158 186.5 98.88059701 249.7205882 167.9444444 238.0517241 111.7192982 191.0416667 68.67692308 207.6458333 173.4583333 97.95652174 Uracil 106.2857143 116.2166667 217.3714286 98.55882353 215.6808511 335.483871 140.630137 269.9428571 368.7666667 501.04 194.3230769 89.112 184 189.7333333 291.8684211 239.9807692 118.7087379 429.28 285.68 114.64 136.8333333 114.34 203.2363636 205.6981132 140.961039 171.3333333 101.2718447 138.1038961 171.1029412 251.212766 270.4666667 234.9852941 105.6639344 404.5151515 218.626506 256.8 177.6769231 104.2781955 241.9830508 121.7192982 280.2166667 482.6428571 634.7586207 253.8309859 248.8545455 427.0789474 208.9 213.2238806 217.7352941 394.4166667 274.1724138 330.6140351 392 583.1230769 470.625 653.5416667 410.7101449 Urea 8070.357143 3115.65 5774.885714 3543.323529 8511.744681 24261.70968 5009.60274 11606.2 6155.333333 6552.52 4443.215385 6021.04 10299.57407 5669.703704 6814.605263 4152.980769 2746.932039 7281.48 11383.98 5321.576 4011.869048 9009.54 5907.709091 4740.981132 4482.467532 13361.63636 7022.165049 9774.714286 9253.088235 5109.106383 6359.888889 3547.176471 3376.909836 585.9090909 3358.13253 8581.890909 57.46153846 0 0 0 41.96666667 68.95238095 33.20689655 6.126760563 0 42.34210526 37.92857143 33.76119403 45.32352941 43.66666667 66.05172414 0 13.16666667 74.07692308 21 36.16666667 27.28985507 Uric acid 170.2380952 91.91666667 113.4857143 124.627451 112.5957447 142.2580645 122.2876712 166.7142857 118.4666667 132.4 176.6153846 104.184 30.05555556 98.16296296 114.6578947 87.21153846 139.6213592 218.76 117.76 119.096 190.7142857 89.58 127.8 100.5849057 101.025974 111.9545455 140.0194175 170.4805195 201.8970588 144.5319149 151.6888889 61.33823529 172.7622951 115.1515152 120.8554217 54.05454545 408.3692308 204.8345865 430.9661017 222.0175439 174.6666667 579.7380952 220.6896552 39.90140845 249.2181818 327.0263158 252.5857143 32.10447761 413.8088235 452.1388889 448.637931 448.4385965 373.9583333 602.3692308 0 273.3333333 363.942029 C10 0.382678994 4.515236273 0.864440299 3.884731068 1.281682694 1.16505405 1.846271608 1.889944658 0.591508576 0.345893884 1.393250026 0.654235091 4.347193784 0.863217633 1.507753063 0.649470778 0.298100645 0.522193852 1.207440386 0.228520198 0.492532482 0.075211165 1.121547077 0.980018591 0.290678703 0.59859678 0.861722826 1.048290915 0.166489493 0.113267487 0.066519648 0.039977271 0.036218124 0.385003852 5.343164019 0.096008989 0.223393916 0.254394445 0.049731355 0.03653522 0.138469599 0.20808746 0.194294687 0.102799313 0.665458482 0.056638286 0.060842009 0.04884346 0.032325893 C10:1 0.156504723 1.127427376 0.239108457 0.31455952 0.364876968 0.146805387 0.407050734 0.341176132 0.200702511 0.100340089 0.303377779 0.095814355 0.545036676 0.313608623 0.290814059 0.162517725 0.064842205 0.090450367 0.132898731 0.087985661 0.189606921 0.04584004 0.368685233 0.065470417 0.12116295 0.156026068 0.16905788 0.197414328 0.13030242 0.033621645 0.072966795 0.078533921 0.103837542 0.100504247 0.060302104 0.117457249 0.143170836 0.105202368 0.036330857 0.073572156 0.061452511 0.055327041 0 0.091033291 0.080228226 0.041713334 0.035546145 0.068349937 0.023289684 C10:2 0.171641571 0.498396145 0.359109064 0.330598822 0.393005337 0.095423348 0.209799053 0.19984754 0.114966795 0.092144186 0.208883548 0.171499906 0.197331808 0.220126832 0.347458773 0.078164096 0.062652934 0.107218832 0.150407098 0.06736173 0.056843782 0.03455027 0.213335056 0.082673278 0.065283413 0.078174015 0.149425494 0.21867561 0.116355312 0.038449571 0.075103715 0.089559641 0.129818216 0.115557028 0.119046482 0.102335159 0.099579132 0.062671286 0.054749442 0.158733414 0.129640079 0.090740158 0.134405883 0.052264552 0.065527674 0.028312542 0.035844964 0.054902456 0.044454579 C12 0.058065481 0.634003542 0.085625821 0.187182324 0.12515179 0.059685864 0.193550204 0.28311518 0.060142629 0.031902765 0.088235405 0.08177785 0.209832296 0.143604448 0.216138399 0.105761208 0.038483151 0.03789669 0.061451444 0.022804702 0.062999741 0.012700952 0.112405603 0.04049869 0.040608473 0.047764708 0.122480592 0.061927944 0.105798272 0.013383122 0.095753717 0.022585085 0.087376683 0.066360312 0.09280921 0.047882072 0.057714462 0.021358664 0.051020658 0.079247616 0.082874367 0.053751823 0.049383468 0.039895062 0.032461225 0.022570968 0.047401126 0.037831771 0.029554321 C12-DC 0 0.253432299 0.020026628 0.064978137 0.064771725 0.017832202 0 0.070364158 0.033856791 0 0.074249401 0 0.066048192 0.038116761 0.17463363 0.039358994 0.004790333 0.029429782 0.038640399 0.021081718 0 0.005760696 0.039378649 0 0.018501415 0.019596546 0.041675889 0.013358798 0.010082199 0.006376926 0.059093338 0.012220896 0 0 0.056039887 0 0 0.0064683 0.009103839 0 0 0 0.024938096 0.013278064 0.012620549 0.010560681 0.010917664 0 0 C12:1 0.150656176 1.00496247 0.179665086 0.470045622 0.382843363 0.179530819 0.46242199 0.642701846 0.121428257 0.091661952 0.267267189 0.136492888 0.304648133 0.181470406 0.377396842 0.196168676 0.048187238 0.068766728 0.181522125 0.097888556 0.125631871 0.065538454 0.219259323 0.100481438 0.081980649 0.104588645 0.14930357 0.166055533 0.13041454 0.04471563 0.04981335 0 0.071995151 0.101171161 0.096125204 0.094202243 0.24783963 0.13457222 0.072898099 0.15330872 0.071354939 0.100350252 0.097347941 0.066222113 0.053205716 0.043791356 0 0.041335887 0.041313061 C14 0.274197673 0.358451759 0.389862011 0.810389693 0.393694144 0.148383541 1.116119842 0.103419776 0.423415698 0.257048536 0.837189937 0.371610625 0.170744963 0.637855152 0.297565048 0.103612463 0.254278638 0.053039874 0.59996891 0.255062801 0.142568557 0.066588445 0.193117101 0.406115345 0.455005396 0.800063529 0.15885228 0.225843419 0.677416299 0.838571311 0.41907184 0.189973147 0.04961634 0.137834824 0.135325966 0.370655551 0.050767965 0.397759167 0.187732005 0.314548569 0.126109769 0.275025266 0.229730311 0.171800778 0.069508913 0.283732459 0.67089323 0.216561252 0.139227335 C14:1 0.301498145 0.265799315 0.351849541 1.052303027 0.183830801 0.159703995 1.069621159 0.103760941 0.308981281 0.236119242 0.262940314 0.385974589 0.202319599 0.570051769 0.276546761 0.058031483 0.163252966 0.045906989 0.588141814 0.273929626 0.236276759 0.164190944 0.268125016 0.218363922 0.224659176 0.442070486 0.161906294 0.190814468 0.55329269 0.915423388 0.351204249 0.092717942 0.045130702 0.122693947 0.112235566 0.360475243 0.071912885 0.229222577 0.133276391 0.358140588 0.077013987 0.235944781 0.196394562 0.169873574 0.056547518 0.339530191 0.391024891 0.173930635 0.09696952 C14:1-OH 0.184043936 0.275543737 0.182760086 0.457395152 0.244872717 0.107022184 0.298650841 0.074466958 0.38987529 0.173419664 0.35886826 0.266781997 0.061248849 0.322301412 0.230207961 0.044421208 0.174653865 0.036017494 0.305830457 0.398335931 0.120272261 0.161602343 0.143700507 0.094575214 0.148862088 0 0.071464852 0.103468732 0.392686373 0.430750123 0.207404452 0.051907785 0.028223273 0 0.036872867 0 0.029107138 0 0.071335246 0.130879219 0.065356998 0.216896113 0.095394679 0.122533176 0.026752039 0.128399512 0.312567389 0.115461479 0.102930402 C14:2 0.274933714 0.426942629 0.34697443 0.946086449 0.282765802 0.136799854 0.686623766 0.109539498 0.472331007 0.111319449 0.54190625 0.248617737 0.066564057 0.578478762 0.147052236 0.07639678 0.301940773 0.088914188 0.559032747 0.215187765 0.159680843 0.110003834 0.12087295 0.386283239 0.244600073 0.579483973 0.114186651 0.097095482 0.634424548 0.572636271 0.240113955 0 0 0.079450389 0 0 0.037107639 0 0.060782651 0.234406051 0.046131738 0.192789969 0.179639513 0.126603063 0.022441399 0.150637027 0 0 0.082514198 C14:2-OH 0.247636639 0.252655854 0 0.437170916 0.169087406 0.115338192 0.602657012 0.03892859 0.117995518 0 0.150539059 0.192727333 0.088660352 0.33286918 0.251757386 0.043057562 0.096419388 0.044441456 0.358022997 0.445978242 0.220152614 0.185731343 0.215529257 0.066476693 0.108934444 0.659607146 0.189282888 0.142577233 0.583707308 0.309273484 0.207639408 0.088216647 0.0163471 0 0.082385706 0.178306655 0.033015294 0.259999677 0.049175553 0.138672668 0 0.13348319 0.168072969 0.127189207 0.084941737 0.264699741 0.138539858 0.109794919 0.066081465 C16 1.747487804 2.068220021 1.940433523 4.264367844 1.220462819 0.878226942 3.809017402 0.447482495 1.196866602 1.534259559 2.782552875 3.611215212 0.69359697 2.750765009 1.338030566 0.305619047 1.063332326 0.372351599 2.794084031 1.231925525 1.433265117 0.413957792 0.684344469 2.600144594 2.613737587 2.033132183 1.096484061 1.273914735 2.931138492 3.919115396 0.997523958 0.727215038 0.080868604 0.395016533 0.280104136 0.810298773 0.129215526 0.660629325 0.245026849 0.548599625 0.387650206 0.531260792 0.899628896 0.590562675 0.294105838 0.95001189 0.791193039 0.488875744 0.179553093 C16-OH 0.160775468 0.120872601 0.108532582 0 0.128987479 0.11256863 0 0.039160902 0.325863808 0.141952797 0.221510897 0 0.089231704 0.18694311 0.108780764 0.043923619 0.107240572 0.018276809 0.322422688 0.156859251 0.052106619 0.022930023 0.112958795 0.107451145 0.104069921 0.213831653 0.069476275 0.087106099 0.199555989 0.55430582 0.186335797 0.011768777 0 0.092722914 0 0.157810226 0 0.107285629 0.045888628 0 0.011215651 0.165683333 0.089045806 0.06799243 0.016880479 0.078635812 0 0.038571814 0.055381643 C16:1 0.280998247 0.442136849 0.26789701 0.522601725 0.3013212 0.154513999 0.805118695 0.128637186 0.224621728 0.261513207 0.452334703 0.810457249 0.132270624 0.401483699 0.264482937 0.072721719 0.140735972 0.06944042 0 0.263843448 0.282112471 0.065617331 0.142157536 0.376198308 0.454732635 0 0.085462059 0.091100018 0.522693994 1.012994769 0.174493316 0.097214721 0.020638277 0.114423942 0 0.210550488 0.028239014 0.149970862 0.116972082 0.26679737 0.051330666 0.129471537 0.205711264 0.190884127 0 0.190676126 0.1081455 0.107509129 0.078869049 C16:1-OH 0.258960468 0.248825413 0.174188038 0.812244517 0.18591881 0.257934294 0.993810868 0.044149375 0.315556676 0.249922168 0.433299997 0.35211408 0.086563774 0 0.300305305 0.056162042 0.219561382 0.068455665 0.882836148 0.366628395 0.093874353 0.086274576 0.223049078 0.201133554 0.264577701 0.501247647 0.111715608 0.110186162 0.61408809 0.289830448 0.195754033 0.084893842 0.054758383 0.24243233 0.109167398 0.355115384 0.056067801 0.309615234 0.349832183 0.484479237 0.096248579 0.425652172 0.432844876 0.348693345 0.089377943 0.386853682 0 0.206439749 0.108990194 C16:2 0.235089892 0.157975197 0.098493398 0.544176543 0.080254656 0.107183642 0.510816866 0.044573994 0.392149378 0.097351428 0.29119483 0.161874443 0.057909978 0.337891496 0.155859344 0.036502878 0.313768949 0.034614407 0.242017806 0.2362465 0.179942927 0.09084521 0.086926392 0.175047639 0.182185077 0.33419605 0.127211699 0.043322989 0.427060025 0.473091067 0.221184494 0.040886807 0.023168811 0.049186735 0.034429177 0.203282639 0.0172098 0.112603414 0.055995667 0 0.02776169 0.091807175 0 0.107548275 0.026065272 0.11716343 0 0.047084717 0.047237963 C16:2-OH 0.174323036 0.247350975 0.182320332 0.211258358 0.156410765 0.152713305 0.645111905 0.049330679 0.21589232 0.109991899 0.234934756 0.290118907 0.027667611 0.451541878 0 0.027644192 0.155669595 0.055974272 0.300582452 0.230513275 0 0.052733609 0.073974722 0.174970915 0 0 0.079635665 0.083782737 0.558147707 0 0.138730961 0.029251631 0.013012698 0.104010944 0.057120939 0.469810528 0.039901872 0.246134047 0.080457754 0.268705995 0.064369353 0.289250148 0.219001038 0.166242047 0.044129709 0.231533605 0.530673982 0.134613064 0 C18 0.326455436 0.443319182 0.755907452 0.360241278 0 0.214614034 0 0.107083953 0.16178431 0.151498133 0.75420315 0.48037742 0.125162455 0.990352316 0.260405011 0.087080339 0.074621542 0.081544983 0.42003563 0.236548244 0.38879978 0.105746349 0.082349714 0.259328313 0.215765268 0.590624372 0.128800051 0.321804922 0.31753411 0.18868493 0.145708759 0.04760586 0.131109008 0.683068993 0.28862018 0.399673364 0.093582557 0.276234164 0.310971407 0.312925167 0.284156439 0.207356057 0.265702798 0.344885824 0.142904996 C18:1 0.456287103 0.889420388 0.632731021 0.597054707 0.421908151 0.119441784 0.170211492 0.367073344 0.169339447 0.281401965 1.671938838 0.548531503 0.176152973 0.978200911 0.324349023 0.053762915 0.295834738 0.192662622 0.33423693 0.189065397 0.78659625 0.207759462 0.163805151 0.476464725 0.266423167 0.338307084 0.207904642 0.711428925 0.48266631 0.158413978 0.164186334 0.173846798 0.136784685 0.402642056 0.274266165 0.82434242 0.127479757 0.110379423 0.467119772 0.199245229 0.228177982 0.12535476 0.190506858 0.514320663 0.393256015 C18:1-OH 0.115750927 0.125546189 0.189278222 0.076117621 0.150005942 0.047807164 0.101349289 0 0.06779657 0 0.245393182 0.067082792 0.02493542 0.301114462 0 0.024778854 0.065126714 0.01881766 0 0.07173692 0.078773264 0.087321092 0.036982245 0.03104697 0.079902626 0 0.028995708 0 0.185634332 0 0.026997525 0 0.041113731 0 0 0.184326465 0.09369683 0.115245771 0.078396935 0 0.078468337 0.033480808 0.035911444 0.187126723 0.069766931 C18:2 0.800824399 0.645096986 0.79709251 0.537076615 0.667103654 0.287498521 0.397829861 0.548653287 0.445450261 0.469609647 2.255372483 0.896064734 0.31099948 2.367103322 0.461237517 0.13591771 0.569874679 0.291406562 0.853282208 0.533034513 1.002962683 0.391010054 0.353390932 0.812934393 0.402406289 0.984883727 0.45275362 0.62561265 0.657900205 0.34339993 0.310760121 0.082392724 0.263421154 0.426006206 0.276597307 1.171385937 0.283240087 0.468996455 0.628042625 0.490743367 0.394192352 0.176002429 0.817364101 0.9172928 0.474447747 C2 17.56058297 42.47041119 80.0746264 20.23041294 8.879082436 11.75288228 14.51250789 9.589780058 21.53388866 61.79211155 22.85567185 10.82396873 7.947358004 43.49091358 17.86724113 22.9785031 0 39.28165552 24.38136409 11.26831171 10.42130946 14.57207738 4.999197642 43.08261783 16.4104206 8.323868928 14.71923663 19.99851731 40.86595102 8.828381324 18.64518836 10.49093163 20.06380784 0 36.99856049 14.17486292 32.57767618 5.603039164 10.420957 8.702436052 9.226385677 19.54349721 8.345342709 17.96048187 17.46642888 10.19528768 25.57389175 16.23609229 8.991531266 15.53605195 12.79447203 25.3862261 16.43782848 33.25894107 12.64014139 C3 0.138864713 0.777522097 1.56256024 0.531073447 0.805894505 1.025923769 0.67248362 1.05055342 0.904644641 0.731220799 0.397204519 0.187545226 0.559876856 1.149293708 0.617020885 0.475675512 2.229782434 1.499675653 0.26756972 0.370551711 0.768245963 0.736672272 0.451922734 0.135290967 0.208035026 0.329499308 0.605441968 0.308110322 0.963733207 0.397680478 1.223462137 1.059429809 0.807111709 0.652433818 0.614803333 0.149891916 0.384913674 0.413527973 0.342654929 0.188170666 0.42863758 0.223626631 0.298502591 0.654342063 0.253885711 0.238963759 0.430418685 0.248024013 0.374032323 0.451490541 0.290422179 0.427167409 0.127421924 C5-OH (C3-DC-M) 0.018275921 0.056220212 0.060974549 0.042409194 0.123804412 0.064275989 0.099260249 0.064278377 0.132616952 0.04830264 0.016777387 0.024529704 0.038432616 0.085996701 0 0.04716865 0.031652107 0.048667928 0.005360919 0.026473602 0.036391366 0.040041707 0.066519434 0.043503571 0.017307407 0.018181273 0.040844111 0.02302166 0.033959949 0.062790554 0.030006144 0.025078638 0 0.035248859 0.024932418 0.010420306 0 0.026710602 0 0.033583627 0.01783382 0.019033744 0.036167635 0.039673609 0 0.037012587 0.037370752 0.040431688 0.016818676 0.023309616 0.012163013 0.014196269 0.026369457 0.010055692 C3-OH 0.032285543 0.016191154 0 0.021083219 0.046143638 0 0.058615304 0 0.023124646 0 0.009929898 0 0.01833281 0.12581155 0.023704113 0.012342533 0.150259491 0.051449656 0.029168468 0.012240349 0.017295463 0.027596954 0.018451368 0.031524521 0.017831307 0.011220485 0.025417729 0.036234948 0 0.013763319 0.050062431 0 0 0.019595881 0 0.011121538 0.021435581 0 0.007584273 0 0 0 0 0 0 0 0 0.008719792 0 0 0 0 0 C3:1 0.013106665 0.021211922 0 0 0 0.035896 0.01698479 0 0.017281106 0.012844111 0 0 0.011179165 0.058659721 0 0.010207256 0 0 0.008921493 0 0.015740734 0.029339314 0 0.00328857 0 0 0.03268069 0.016633842 0 0.019316008 0.038640402 0 0.022371295 0.032936694 0 0 0.009647556 0.02636579 0 0 0 0.010544085 0.027289514 0 0 0 0 0.026439026 0 0.019281158 0 0.024392195 0.006526702 C4 0.055652225 0.237736403 0.252621467 0.097008071 0.191925584 0.413486296 0.127143975 0.17796049 0.103971897 0.151173759 0.070965431 0.080418521 0.16296515 0.507935034 0.101632903 0.096838207 0.428456084 0.342690779 0.065632177 0.115995007 0.283124019 0.206224374 0.080097863 0.05119685 0.049238387 0.120529169 0.244525682 0.115289999 0.157956573 0.075256807 0.243984562 0.178496461 0.214332039 0.122774194 0.358965022 0.094418177 0.253510149 0.219619959 0.250720882 0.174497175 0.305372607 0.141725665 0.226362489 0.201838742 0.118698601 0.133636114 0.25151149 0.119196023 0.117776105 0.122775055 0.207874712 0.143865099 0.050690782 C3-DC (C4-OH) 0.081726549 0.232743573 0.312645536 0.134596317 0.316738874 0.177740811 0.154099051 0.334080462 0.117302374 0.194160886 0.126388376 0.105429973 0.205178467 0.507678826 0.105145622 0.163467493 0.269864336 0.327811464 0.109460433 0.058663302 0.204465901 0.121911633 0.091580411 0.061181078 0.110780865 0.123080121 0.121708868 0.192547813 0.370974045 0.047926193 0.172451216 0.201128499 0.254705625 0.240835339 0.194346377 0.051025086 0.14875495 0.157917162 0.12468561 0.139888404 0.422106622 0.06412291 0.13031231 0 0.065388919 0.088386404 0.071658089 0.08463903 0.104432335 0.12696793 0.06881428 0.176839932 0.029034424 C4:1 0 0 0.058302769 0.014087928 0.066368412 0.043244462 0.051162836 0.036548056 0.049827952 0.016641173 0.009111931 0.016317195 0 0 0.022824218 0.017960219 0.080617593 0.061211128 0 0.014124458 0 0.017864917 0.010399047 0.012478477 0.015474483 0.009081168 0.031788689 0.024883025 0.071729275 0 0.021339107 0.031975676 0.033454212 0.049513598 0 0.015051623 0.035332634 0 0.020339487 0.026049054 0.066345423 0 0.034576822 0.067477113 0 0.035882552 0 0.037704404 0.014940929 0.028194669 0 0.049249886 0.012361036 C5 0.050435971 0.171494596 0.605962402 0.183259298 0.190105579 0.134443982 0.267643964 0.056544059 0.239113303 0.165530566 0.045799867 0.268148363 0.068036018 0.337632491 0.473292164 0.16823372 0.142687964 0.209267123 0.032515924 0.09509385 0.083921181 0.089916996 0.245019069 0.11723562 0.079793639 0.05393722 0.104710126 0.158995285 0.064985489 0.14402844 0.061691779 0.124073286 0.725585362 0.184475677 0.144528947 0.035500658 0.072740609 0.14288883 0.093078893 0.13741072 0.110585115 0.182790401 0.214057895 0.098954584 0.041251557 0.332150505 0.155723873 0.073864358 0.188737058 0.174485744 0.122583376 0.078792591 0.07700864 0.030561339 C5-DC (C6-OH) 0.070021352 0.06319543 0.129940843 0.070349884 0 0.043579027 0 0.044053145 0.090221269 0 0 0.043340922 0.041157315 0.085657062 0.039261757 0.049835361 0.022699224 0.04846075 0.008144814 0.017439665 0.034684458 0.043049245 0.061298267 0 0.013807659 0.036407207 0.040027941 0.035278095 0.030283872 0.040130203 0.026653007 0.030320904 0.038390637 0.056411109 0.026220944 0.011742678 0 0.021104901 0 0.065177576 0.049186152 0.021856622 0.028397097 0.025530635 0.02279899 0.029129845 0.031919626 0.018865414 0.02936621 0.038824216 0.030239334 0.019697655 0.031696115 0 C5-M-DC 0.021835708 0.019909906 0.086168957 0.036305525 0.060612935 0.037773619 0.074055454 0.057876741 0.155185613 0.050509791 0.008253375 0.02003222 0.029699474 0.11532143 0.061290258 0.063171616 0 0.076401084 0.008557851 0.031011225 0.02260129 0.060817887 0.116622142 0.043260326 0.01776597 0.04114147 0.047698334 0.034128539 0.047520865 0.093523438 0.035508846 0.033898241 0.168540416 0.061469608 0.037490924 0 0.048667773 0.03241469 0.058815114 0.079372445 0 0.061900493 0.050439599 0.035603556 0.033896989 0.050994866 0.048312678 0.037628354 0.054893781 0.053250138 0.015124617 0.053556998 0.037873763 0.014778416 C5:1 0.022998695 0.037336057 0.08927081 0.041679582 0.042184512 0.02221814 0.050834346 0.053182512 0.115801298 0.051936576 0.015113279 0.024433117 0.029314026 0.041836905 0.077386367 0 0.022411223 0.025969004 0 0.021958105 0.019970696 0.03664878 0.070359531 0.016168691 0.007931775 0.019397901 0.028494714 0.03035771 0 0.027688442 0.019746509 0.023544444 0.103596398 0.025892965 0.019872899 0.013053661 0 0.023784325 0.013480387 0.050110955 0.010183762 0.016973117 0 0.020514855 0.016650471 0.023527463 0 0.032116517 0.031660643 0.024684437 0 0.027789104 0.027395314 0.023245359 C5:1-DC 0.038463544 0.06233748 0.109501927 0.047995897 0.067044559 0.051580318 0.102266131 0.117386589 0.110759274 0.070497058 0 0.041451319 0.039839555 0.14946466 0 0.045439275 0.053971708 0.051223941 0.011438919 0.028224627 0.029723594 0.071399242 0.061123935 0.052209953 0.012697588 0 0.04053722 0.04378416 0.06215434 0.08111066 0.018545554 0.038736809 0.090984599 0.058827867 0.064610521 0.004880076 0.016311138 0.01326999 0 0 0 0 0.016129752 0 0.011692344 0 0 0.022423417 0.010353252 0.022544529 0 0 0.015250624 0.00347817 C6 (C4:1-DC) 0.053377393 0.30957972 0.080471 0.026977632 0.12616902 0.104872642 0.067483455 0.052677425 0.083083286 0.033958966 0.021777436 0.036472565 0.035109931 0.0528695 0.070296202 0.046022384 0.018936212 0.092078879 0.033000129 0.020649954 0.0180064 0.036890066 0.017076195 0.022908518 0.068139389 0.046712311 0.02047669 0.021790937 0.045277397 0.032869155 0.032858956 0.018968297 0.016442286 0.02830717 0.025919398 0.049620071 0.021715564 0.009943325 0.008140572 0.010181898 0.009034725 0.012667895 0.013974678 0.012028405 0.009539356 0.010966441 0.005961341 0.004911898 0.007025565 0.008058608 0.005009852 0.01299334 0.007563263 0.010493195 0.004625441 0.014954114 0.010146969 C6:1 0.060555042 0.268091052 0.176763677 0.06363484 0.127191061 0.155738193 0.087544336 0.143184542 0.149907343 0.127461098 0.070888123 0.017096922 0.082142587 0.065463352 0.208338889 0.104888596 0.034921799 0.13290169 0.072517204 0.037708128 0.066286954 0.036507635 0.129194776 0.078201133 0.045836921 0.105631828 0.027270184 0.076690973 0.081160064 0.057996993 0.049779542 0.052200449 0.026160677 0.092498201 0.048830365 0.032568282 0.00719484 0 0 0 0.002525893 0.002755253 0.004585916 0 0 0.003288419 0.001477138 0.00139747 0.001673878 0.002870999 0.001796233 0.00144693 0 0 0.001042572 0.00186955 0.002018344 C7-DC 0.037529875 0 0.061958648 0.010988981 0.05581455 0.039692698 0.048403123 0.020844644 0.059052646 0.015218604 0.0232716 0.008156592 0.013772399 0.011890652 0.039803221 0.023354245 0.010025412 0.014906068 0.013351313 0.019800722 0.01576646 0.008092908 0.027240266 0.012530456 0.014393363 0.010185833 0.024477696 0.016749407 0.025002682 0.015384855 0.022483461 0.010509423 0.011963759 0.038405972 0.022665754 0.017712299 0 0.002278066 0.006402775 0.003700628 0.004133879 0.002002239 0.006421725 0.007201389 0.001095041 0.002150171 0 0.001548397 0.003255801 0.002828026 0.002090937 0.002398609 0.003459146 0.004238932 0 0.003268812 0.002570607 C8 0.162283174 0.139901208 0.212565296 0.05809748 0.281829429 0.129803406 0.144766068 0.093763922 0.101088823 0.10197958 0.065566796 0.022360079 0.065323652 0.092831983 0.198432585 0.047630431 0.028608488 0.089472744 0.042871446 0.054428359 0.034262442 0.030192992 0.043086411 0.028569628 0.048904557 0.023906747 0.053408092 0.054495561 0.052446153 0.057477682 0.074171861 0.030254887 0.019908042 0.053552928 0.056337983 0.051445631 0.014895592 0.012183074 0 0 0.00260169 0.007227683 0.014220971 0.006914033 0.005069583 0 0.002714011 0.002648396 0.005616299 0.00416152 0 0.005333479 0.004675843 0.010618227 0.001889779 0 0.005209196 C9 0.039734055 0.449528465 0.061697744 0.17633859 0.161876204 0.095861841 0.155678238 0.236398218 0.060879716 0.043880924 0 0.048993635 0.12255231 0.147236294 0.196445573 0.066677313 0.020368315 0.031541469 0.097107698 0.035301762 0.084751519 0.011906512 0.063560777 0.03742842 0.029866281 0.054399343 0.062819295 0.06774861 0 0.015236882 0 0.025231007 0.041095125 0.065224514 0 0.027936758 0.066281958 0.04797537 0 0.035541348 0.018509544 0 0.056929256 0.035798981 0.024675588 0.017397877 0.020206299 0.021236362 0.02198411 lysoPC a C14:0 21.6060445 25.42376967 27.88754634 10.0819649 27.6614388 41.88849257 13.56376903 42.46289018 22.12220694 42.61730863 12.98173606 17.96152279 23.29815218 14.17844538 50.74507492 15.88316993 22.99072558 26.88956456 16.94526948 12.06614331 9.516311977 27.82017434 21.97812752 16.0865669 29.30826514 14.09359478 19.98230963 14.38348641 28.24224922 17.70519911 14.87461372 13.80170411 7.918802502 29.8706052 18.04651393 26.91085207 12.25122712 21.34219086 48.18481442 51.43563055 23.67364892 43.35654931 11.93258282 20.77595694 26.64322916 14.72676521 42.79947546 17.72895828 26.08458639 22.38007462 9.473627559 lysoPC a C16:0 1415.774606 1485.731466 1126.031 566.0892747 1917.391301 1684.260136 800.4558787 1933.359149 1304.554826 1758.999885 634.4394808 1091.405409 1091.974682 807.6387557 2954.02226 947.4097558 1068.141889 1012.614498 817.7167777 478.0779365 538.1100534 1776.683873 937.5556512 583.6407252 1625.448128 541.9501751 1352.676267 944.5564953 1615.562034 999.0110352 688.0047519 591.7208693 408.8377924 1543.980943 1099.760384 1346.165151 375.4816793 749.3360883 1379.766589 1862.640891 468.9108752 1216.739983 392.8839701 627.3843478 734.504719 463.88443 1368.018581 667.004898 764.1247626 1238.103974 442.2933042 lysoPC a C16:1 72.22185985 128.2905513 82.83889013 38.55174262 147.7581933 133.1965559 34.22423176 105.7410007 106.914871 133.3925878 29.25181696 76.85856182 94.29446657 59.49308175 176.6067854 55.00064442 82.97499248 69.354587 44.85360669 41.20065729 29.73991845 102.4579566 57.61853006 37.54080638 97.25332542 31.25715094 99.62182154 44.55713556 98.08094164 52.52748981 27.95777881 34.54739329 24.40034851 73.95013707 57.45614504 113.7586678 37.7425809 77.37210338 178.054885 195.0920649 55.07117397 156.890867 46.45805015 56.08623508 66.72505394 61.53105916 100.8224883 50.01985926 77.55240291 66.12488624 40.00604724 lysoPC a C17:0 20.28490555 14.04797435 16.46609513 8.269724383 20.59126303 26.95693745 12.70337317 35.64855323 16.23468827 43.52887404 10.91669189 11.36377199 14.71788881 12.58844918 0 14.33517512 16.8890359 24.50618821 12.47707017 4.65509129 8.624993039 29.94207361 14.14518005 12.35468346 26.38420346 12.69843279 18.06229208 13.88634399 16.07808835 12.7959932 12.02617953 10.49471896 5.627649145 22.1807569 10.20209567 17.41166122 3.505168533 8.777886649 17.21012073 15.31455935 11.33683465 22.34771479 5.099356156 10.70350421 18.68001268 14.8633441 16.96272646 9.772579732 12.07842195 10.87426683 9.087357907 lysoPC a C18:0 382.9527619 350.1715617 243.7306512 131.6364554 442.6836779 354.9774164 178.237234 452.7357215 287.9748244 367.0678079 158.5361848 220.6568988 216.789159 154.8166823 741.4912383 201.8485748 227.3849371 239.1032843 185.6200922 98.79251768 110.3605241 426.7457758 209.347832 127.6312493 389.4071928 128.1011245 282.7206087 211.7711068 385.3417481 245.3066532 171.3944912 135.7852235 87.83173508 340.0235108 240.0572766 294.0594424 39.6982793 99.9632584 172.5425867 314.9251178 65.05350942 174.5228985 57.40367428 105.9765868 138.0043513 76.78783233 206.0779587 107.780746 134.4259125 161.4649319 65.06057324 lysoPC a C18:1 278.6251371 434.1551512 324.9788618 141.9248724 558.9020847 449.9220812 124.2162986 390.6767679 340.2250165 380.0500628 108.9467478 268.8525729 330.6649268 193.0525397 655.2216782 200.9601235 271.6928689 218.0617515 166.7380127 121.0889874 104.1325349 412.2631055 193.9086217 137.6829369 306.9233552 127.0831279 309.4804942 195.767907 377.1933043 199.0408175 125.1821059 134.4235699 84.48898036 301.2828584 223.7109079 388.6303735 72.49107777 125.9226047 252.0461965 424.366142 72.36726271 211.818219 74.95665459 114.5957391 150.8066459 98.6317034 220.7890086 127.9029866 128.5087069 194.0256016 77.03476577 lysoPC a C18:2 315.8654238 430.9436968 328.3812867 120.1910303 539.343462 536.8880331 179.730983 394.4419189 364.2034026 311.5170245 109.2644629 272.7015091 312.3335172 171.8160926 879.6201023 222.167976 327.0725691 242.7203395 192.4289901 121.608541 130.5541723 489.0142295 236.0433652 150.3707282 301.1701669 99.89004481 324.8391589 219.3587616 346.4432646 217.8095229 227.2398164 106.2387505 75.53265542 471.5286825 250.8998451 339.9346052 78.90601712 153.515116 235.6695852 458.4750457 115.6174664 325.2160234 124.7936766 153.9112829 191.5327198 157.9116583 250.4165718 144.7050221 146.3245572 298.9755121 126.3639931 lysoPC a C20:3 92.15181619 138.5317085 88.32367544 36.88905196 192.8969588 124.8886861 37.75290672 117.9376258 110.0883022 130.5071466 31.42048298 89.51178272 114.4365846 46.92525991 193.4563486 71.80729781 75.42503047 83.78863766 46.09344796 36.95805971 37.19602665 112.0421509 70.07315691 55.09470106 81.99937819 27.24283186 85.24773827 39.46729721 109.2807035 50.98050256 50.12287149 31.6197717 20.32476556 108.0457548 75.65416231 104.4170777 17.65377905 34.76227016 56.12088143 84.97038459 30.43496834 82.9970431 33.82180979 19.90707773 23.60824056 33.4216804 72.67787403 44.18872436 25.47132809 57.08528515 26.77472065 lysoPC a C20:4 343.6854553 435.2453399 350.9159069 134.9535049 654.1759848 513.5662841 167.1838723 562.7518486 418.7527118 504.7045303 149.9537786 263.2182058 350.1990476 263.1179993 515.5845145 259.429477 295.2848435 319.7217553 167.267977 126.4164255 125.2852025 463.9157864 258.5725351 168.4318527 527.2085374 152.1366292 332.7119576 239.2922203 446.9204666 251.3208135 163.5762634 187.5984638 72.31211122 377.991134 201.917205 490.1187714 74.88821124 167.0409379 235.2403602 406.9483912 111.5479761 222.8220936 82.35618563 121.7700578 162.4494955 125.6550541 208.5054957 132.1022394 138.6657403 246.7243305 108.0682257 lysoPC a C24:0 80.05081002 41.79487711 96.87333277 32.81008123 92.6275436 123.5919452 57.82345656 249.812253 78.66070607 144.8119055 62.95865128 30.03123227 52.32903661 42.57898731 147.9740656 50.40761823 32.39240603 117.7236453 95.53111517 23.74576949 38.38159143 79.0248412 115.2909144 56.58586731 46.26254505 48.96796827 45.03972853 52.00121536 54.05794009 84.46758777 97.65991138 56.72600272 28.00402457 62.95133501 41.32984315 61.7500751 10.06943495 6.609763589 27.21158779 24.22816483 41.06078042 60.77027775 19.7579025 36.39826654 52.78568925 45.28783469 25.12071406 32.63069555 75.10905469 29.00970641 22.48246798 lysoPC a C26:0 138.2805832 77.73727288 140.6593619 63.4666005 204.1509407 281.3237139 79.36434555 357.2480132 143.083457 209.2388685 85.07997984 65.88587297 117.4752379 76.31057524 323.6676106 120.6930657 63.69522623 213.1275848 144.9390519 59.80560044 104.1316983 118.2241686 207.132109 124.819534 67.85912956 80.75643545 78.37900666 78.4439149 78.08565959 93.54511302 132.7061234 62.24097118 52.07819469 114.6797949 91.38684751 73.70269186 45.10174729 29.21728062 115.4436033 88.06720058 175.6826494 219.5940805 80.70389292 114.876433 171.6154975 136.8925583 75.19448319 139.0821472 159.6400294 76.61082719 95.15626446 lysoPC a C26:1 59.62138869 25.28110017 88.12308813 23.8713717 106.1549834 126.4438574 39.18106127 223.7340464 72.80004808 136.4496494 34.42361801 20.47620166 38.46706197 32.19753467 132.6141379 37.79537908 23.97625466 98.93513368 45.01349161 18.43991518 31.28453443 42.68243341 77.36954449 36.69128668 36.03580944 25.702784 31.88516789 38.16624589 34.65421492 49.08156882 45.97649577 29.3516459 12.29467813 55.4620923 24.43411933 44.87284271 6.387520079 14.08540524 16.94794885 29.01495249 51.68475042 38.68955207 13.67761682 39.73926309 39.67263128 30.4215075 23.28679228 28.13232362 39.48203112 30.34089824 19.2101697 lysoPC a C28:0 125.4515338 57.91409824 110.418531 42.38459873 146.8586766 201.541595 63.4739568 273.0809818 104.3998959 191.0977351 75.76447666 51.81715328 80.99981093 48.33250859 233.7188518 84.39658336 47.05406281 125.4756657 114.2889334 31.10443116 65.91346071 87.60766796 156.176378 82.85347946 54.78699906 63.24150795 57.83267845 57.36402562 68.4074126 69.06303949 107.3664578 45.08347434 37.31557485 87.32482601 67.13244621 66.80278011 20.0746776 13.79122303 47.8333087 60.33033325 57.64476239 126.5223054 32.44385413 50.0791537 99.80341609 57.09803858 46.94487829 59.35782387 103.0630679 49.56413011 39.78853861 lysoPC a C28:1 58.57510471 29.32993726 64.75580133 20.36872858 95.29081869 114.4809056 39.08466592 177.5685541 62.82235183 115.7547067 35.43941525 19.79292289 40.24248439 31.19171113 112.784919 38.93726251 23.73351853 82.00513092 47.68229502 21.50646086 29.27542711 47.07178793 74.94743953 35.0516963 37.88642667 27.48557406 30.17080373 40.52953079 33.44117338 42.20944391 46.27005521 24.93709511 12.27459877 40.45343029 27.84029752 39.95593586 13.70222332 13.73550311 37.40675252 42.48030484 40.20914346 67.79576712 22.94052345 55.19933538 50.2868074 36.43799938 36.93108348 33.21540623 60.89419658 31.51718417 30.98235725 PC aa C24:0 3.516149744 2.776066344 4.292255514 1.511138194 3.698230512 5.237689522 2.796330776 6.517839169 6.285193995 6.223887464 3.346017511 0.889611558 2.452217313 2.337168462 3.221031145 3.058422727 1.296298983 6.650705184 3.272459738 1.239245631 1.771106711 1.413372483 3.606749278 3.54461144 2.531663223 2.978430044 1.387231049 2.160298447 2.715303604 4.205037708 3.936784364 3.383608222 1.165313446 3.622275037 1.720953169 3.600097447 1.940161065 0.904963936 1.768633183 1.390177911 1.404168197 3.183578526 4.708524405 0.805623361 2.193526642 2.545107808 1.645125971 1.743286653 1.454944436 3.265503393 1.534430054 1.817054348 2.441815491 2.091726626 2.295608946 1.857031704 1.842783882 PC aa C26:0 8.237792538 6.7957025 11.84088118 3.829775459 7.503059183 14.60662212 5.32353377 11.46398834 15.49619374 17.52796999 5.494717705 3.405740659 8.210593129 7.000716411 10.95250837 8.153691975 4.183915786 16.13793946 8.024613286 3.951734005 5.54873788 4.345098756 7.710445741 8.885900164 4.87968114 5.817878387 3.995582544 5.19875204 5.494812868 8.328319094 9.242246229 6.048443016 3.852324381 13.92975403 4.545115983 7.313725355 4.163426063 2.83172847 5.082064757 5.418142913 4.574012709 7.319518208 10.32350055 3.430642321 5.165799589 7.489087854 3.889671955 4.704549449 4.002667907 8.498913247 4.765564289 4.604683143 5.878297258 4.636129948 6.730566458 6.249192891 4.424163054 PC aa C28:1 1.948338635 1.660252567 2.182332776 0.725186571 1.873911816 2.456503962 0.955522756 2.640562318 3.136858348 3.575743162 0.971166318 0.702210125 1.801572116 0.983529377 2.574930123 1.53093712 0.943779759 3.336608866 1.425512495 0.88181995 0.921068514 0.892732263 1.559373905 1.413112743 1.048773123 1.006338962 0.879498598 1.0352299 1.46177873 1.771276782 1.505227104 1.034819163 0.509728332 2.632742078 1.025733382 1.934309101 1.409189884 0.569846208 1.548941602 1.502283638 1.19850115 1.496077098 2.118791058 1.211537776 1.276645258 1.669494797 0.90434338 0.941587852 0.969610709 1.758104186 1.413991454 1.163665267 2.052817185 0.937542361 1.79283614 1.306888849 0.890926402 PC aa C30:0 4.129078946 5.002471044 4.900619931 1.407823755 4.172462488 6.249187872 2.522638035 5.288496223 8.19464805 10.31738794 2.100328549 2.227491545 4.956854048 2.979068613 5.775031182 3.064471492 2.366714811 6.948027269 2.862300421 2.137577177 1.833584815 2.267950571 3.237383789 3.40655852 2.781095326 1.989905046 2.329327252 2.542937344 3.866728016 4.904658224 3.229945021 2.725717867 1.189908377 7.023036082 2.525218542 5.310079473 2.93225062 1.267429533 7.075229454 4.843369475 4.820128822 4.063663421 4.271236387 4.425552395 3.091951724 4.076933928 1.665662471 1.886499026 2.68378334 4.044574718 3.754646681 2.682667819 8.491432688 1.766799409 5.368695314 4.718155034 1.888034522 PC aa C32:0 266.3708605 294.7891126 397.2860466 100.9215636 356.026714 457.5633587 123.2739288 369.8015672 413.5779343 405.3530701 213.4151999 115.6793338 250.0597037 248.1484005 357.1143153 198.7894364 115.6737194 465.756933 235.5330529 108.7611074 181.2048992 105.6623135 213.2398082 251.5954366 145.8241915 159.8388518 123.7122128 191.5381657 234.4262071 206.6623288 246.861084 190.3794459 108.8742763 380.113808 144.5535393 253.4678578 58.69902752 36.55943312 124.7319454 103.3243124 126.211028 130.9405181 155.1559812 93.49994659 67.20897603 108.1422278 71.9076628 59.92930372 91.0404353 126.7843515 110.6099499 93.57609041 121.9573357 41.95444718 104.38091 130.8161564 59.44501067 PC aa C32:1 149.1098111 254.9048211 280.4425298 79.0020242 275.6405998 283.7680605 79.75041505 206.3753896 348.0822105 303.2982197 65.42098288 96.41657752 208.0140597 143.5515389 239.3858225 103.6471586 98.97698248 247.5410919 78.08628614 95.20978868 78.034693 73.33987738 98.64941587 123.3892548 92.03012924 80.34815412 88.07884127 84.37314557 142.3549362 107.8917736 100.7260891 103.3666083 64.02216724 193.1512177 126.93931 203.7142978 31.00946093 29.954629 72.5050835 119.1733714 90.17410723 87.35296995 72.66412938 77.55718506 47.9302015 48.91924666 25.26512192 30.01464145 54.87580762 71.18710519 54.7005558 36.59493003 68.88163177 22.35481653 51.82428791 55.75354713 29.80772858 PC aa C32:3 6.260538112 4.33642298 9.149113745 2.640709739 7.627583872 8.971472962 3.485407449 11.77643313 8.417364306 9.121173982 4.860584599 1.675219128 4.400951871 3.19064272 7.127654941 4.940874823 2.050380053 11.30497733 4.88102206 1.811612233 3.160022446 1.838970526 5.383965609 5.659848551 2.459293411 4.043654345 2.079849183 2.940504359 3.477811747 3.910344308 6.31147305 4.180744605 2.451676125 6.922098765 2.593534336 4.957234882 1.670751728 0.774697047 1.448713863 1.152132643 1.259197644 2.594925131 2.066810134 1.246856954 1.308396525 1.521531105 1.385620197 1.233928981 1.366471595 1.870404364 1.466784016 1.921546487 0.920660521 1.231688877 0 1.611406676 1.445912635 PC aa C34:1 1778.265165 2498.354227 2842.624411 733.633618 2561.561884 2909.433551 871.6976979 2142.653199 3291.845805 2459.579944 930.0550694 1017.834974 1817.818169 1281.414137 2324.293951 1134.199708 920.3093987 2482.794816 1119.338821 735.4360875 860.3418553 689.2536799 1005.422943 1121.545992 1122.770067 863.4087755 931.1870874 1045.681715 1634.616756 1130.997846 1192.975554 1088.237341 630.4854779 2582.004332 1089.061924 1812.474008 375.0483845 282.3509407 726.2837442 829.3102608 844.1273322 930.8860987 704.7911752 635.1042897 367.5086438 531.8867289 324.568526 358.2018415 582.4669575 692.5828584 689.6013026 485.5116757 694.3928939 231.6335391 669.0391917 759.1958967 275.4899953 PC aa C34:2 1603.888525 1440.497599 1956.519965 445.547489 1783.572343 2019.2909 689.590174 1446.026045 2628.221906 1272.542442 650.688919 725.4045184 1067.906148 704.5070752 2201.000638 905.3059836 767.0458481 1635.613019 748.0071168 412.8707452 658.5042135 606.7630007 788.5097001 850.2292026 634.9681079 508.0846013 589.11045 788.5997775 1020.351274 775.3362654 1488.380186 563.5935172 352.8756722 2853.383489 792.1884233 1159.434314 177.7722763 170.1051391 541.9111956 488.6848948 650.4903552 893.0031192 554.6621675 581.1452711 319.2036244 529.5662248 231.6843125 279.6943941 356.1685043 544.4069672 499.3096155 380.5580362 495.7034857 177.6852617 548.9724603 644.0121393 269.5740821 PC aa C34:3 44.17941917 57.19764178 65.25701773 16.07429486 72.9188063 65.19517072 26.74419248 56.44086946 90.29968576 56.93337254 21.0235766 21.03325215 40.89304023 23.35429761 74.32822588 28.9738412 28.39798913 64.10416106 24.87729595 17.59763898 23.97464809 19.69915067 32.90321077 31.10963363 20.60403715 21.78630952 25.72376913 26.36646237 31.38385018 28.93413929 46.79885561 19.82995341 11.04434073 74.40695714 23.47606544 47.59120564 5.328911152 6.581266208 18.45129189 24.0426407 18.19286101 26.62803626 16.28310299 16.06850491 11.84430895 13.91743293 6.544593263 7.822349586 10.15542973 18.82200603 14.51845614 9.463135499 16.69985554 5.675178231 16.12535086 18.5663627 8.868070851 PC aa C34:4 6.206248861 7.350249572 9.599388276 3.006764136 9.773675024 11.45211273 4.452027363 11.16563 10.57888829 10.8971871 5.297184524 2.721176778 5.819800734 4.08823718 10.4981461 6.518266882 3.898609474 9.467368013 6.430487381 2.984557602 5.624905889 3.079549746 6.534088198 8.079357877 4.593186866 5.709605439 3.954448362 3.348344687 5.241475895 4.730093705 9.97510137 5.589667487 3.238534996 10.4737726 4.480627278 8.213489882 1.094007272 1.542018103 3.530061821 3.632200175 2.965148446 4.420861016 5.509575183 2.640450966 2.368512307 2.973257486 2.081601995 1.632589958 2.948180146 4.022853553 3.216672478 2.3063178 3.858976806 1.841092792 3.26637678 4.056016598 1.536833749 PC aa C36:0 35.26843238 45.248737 71.34701991 13.98422428 47.15786738 55.20979511 22.18206707 71.19643908 87.02113872 70.6487902 35.1149114 29.85324198 32.8469077 26.37168179 55.38391479 37.09240767 21.18800213 63.22001319 36.5282609 14.34759296 8.528055095 18.89592327 25.74147488 35.84618004 24.42893534 21.45772707 20.77742801 32.4388518 43.18834168 30.7767538 48.10243165 28.08286625 17.29517079 94.45147381 22.71553567 41.6554195 16.92319012 7.812759019 27.22577701 22.80038027 27.41625104 31.38871718 28.50729024 18.79138601 16.85788546 21.3217572 15.16687183 12.78522428 23.92672375 20.13144748 29.80611728 21.41740885 27.05643579 12.99833433 31.14120172 29.29397693 11.71517947 PC aa C36:1 368.2014196 506.6114912 443.9515317 146.9342874 434.7961621 517.4744238 160.1086471 445.2565419 587.1684086 441.705499 222.3389526 187.8470832 314.7213574 243.9481659 490.9257149 240.6027272 160.1282483 542.8713653 263.7909172 136.6242112 201.5947525 157.6816261 236.482488 233.0364475 260.1013767 202.6895314 168.4704087 230.2593513 340.0030528 266.3402403 259.3627434 207.661107 126.2925158 485.8030486 218.9389137 369.0164659 68.93334684 41.61002651 105.9102239 142.2437481 140.6925765 156.3973604 115.4593539 92.03555516 69.6570771 86.66072985 60.355368 65.19397289 93.80640765 120.3664496 131.4044012 82.09838732 118.1437147 46.82633881 131.5279835 117.3566915 40.23315809 PC aa C36:2 962.864114 919.6343682 1005.913176 279.3796808 1038.99314 1168.686727 364.6136587 788.8020039 1317.561434 755.5840124 403.4147848 399.0266483 568.0771885 386.0852084 1286.872597 459.8623367 425.1788523 685.2702682 489.7928411 236.0926885 286.2941719 340.0336381 505.375892 468.4052465 403.3796268 343.665684 330.3676124 473.0330294 575.5370754 472.0053594 755.5850786 322.5076815 198.7238264 1337.4206 486.0650975 680.1335437 109.3420454 86.97877515 279.3612389 288.5251026 355.420962 416.607383 267.6133834 284.1907457 192.2002677 283.5400523 130.374057 159.1511277 218.2277524 291.5937329 283.4160368 191.1015958 242.6119333 109.8114893 313.5407212 356.5248974 116.6892708 PC aa C36:3 969.9716773 1137.60178 1022.804003 311.6622348 1370.828003 1082.88167 368.8281641 878.1389114 1696.24223 1142.681764 452.0505937 528.0371758 779.3458258 423.3295131 1075.181453 656.4473763 527.9886072 1021.735543 455.8759709 312.0206247 320.1347749 288.5954209 518.1574153 577.677401 401.2897121 359.9765313 416.8492907 315.1115169 712.0516634 430.1455122 636.6048082 308.5677492 221.7703771 1259.804237 746.1354995 780.0941617 120.6263736 117.8813803 315.3451328 364.9780031 358.6506032 399.636418 325.4853814 352.4414423 212.8141126 292.4928911 105.9477951 124.1276638 254.191282 267.7072561 305.3314453 241.3574197 252.3148057 95.66445809 342.3606093 415.0183483 143.9025756 PC aa C36:4 2333.499799 2398.500269 2796.4078 782.6654425 3387.962614 2579.78985 1251.818127 2602.382245 4058.887243 2576.063913 1364.734459 942.8094198 1407.195114 1447.598645 1670.647894 1332.589681 1214.634861 2738.626362 891.777288 581.1717298 942.9660279 778.7874161 1050.402565 1378.855902 1706.827279 1084.967979 1091.71047 1270.4542 2140.605511 1413.346288 1436.347119 1363.943696 483.5741076 2909.883603 1269.837488 2436.119467 487.0648722 316.3437527 1169.986051 812.9950167 990.0809256 1493.891009 1030.548983 741.0141961 458.6778207 549.1455302 473.9403029 390.6991002 677.7521105 774.8552504 827.2606387 534.869553 992.6623303 264.4760464 1035.59022 1056.22733 432.1568196 PC aa C36:5 45.66778062 56.59188802 128.9166476 22.43640769 84.13475546 226.9973711 29.05927966 77.38321093 117.3735448 101.5316309 30.52420736 26.44265393 52.59906479 44.80790495 114.4793806 41.40684051 27.75949623 94.84492914 55.27849025 23.64829279 33.1963735 22.12164559 43.95528718 66.47665844 25.9263908 33.49017795 24.05302578 30.03759879 34.81107583 41.62229795 54.3923438 36.68776622 42.33728348 148.2122848 37.79594856 61.94934932 26.64038469 8.179553148 17.48119776 21.40705209 26.01908695 26.62343393 38.85571061 15.15076993 14.75149756 15.23248256 13.84009642 10.73948119 26.57416597 30.17015946 15.42578 28.72567406 24.47650964 11.47267679 21.16440433 23.75037877 10.00779524 PC aa C36:6 5.767501398 6.024080459 13.4065183 3.890018676 12.72303346 15.77672728 5.676622272 16.80174291 11.28972995 10.47184444 9.456934284 2.082243755 6.792091919 5.545913539 13.69928259 8.744314379 2.664517824 18.5925188 8.875077302 3.213328158 7.779130773 2.183693704 8.979212506 10.41099875 3.385357387 7.211524209 2.433941026 6.076935779 4.483692464 5.513995452 12.52885088 8.134956374 3.517185479 9.99160264 4.564953413 7.918468252 1.520493804 1.01899413 0.725826024 2.009704277 1.505191166 2.523910057 6.27999148 1.582193357 2.101959544 2.300786228 2.105929846 1.67433634 1.813821855 3.643441272 1.073383615 3.130181075 1.864228339 2.037009836 2.619379612 1.85871631 1.773507632 PC aa C38:0 23.9178668 23.05176322 35.43654576 8.052667563 21.02766808 34.4022312 11.42408899 33.3395075 39.99604272 34.17148615 15.99213228 9.119889183 16.61525179 13.52639324 28.56004039 13.53315843 9.461757815 33.91140825 15.66158147 5.771248499 10.79476911 10.34632091 12.31565161 16.63150198 13.10670141 11.36475813 10.36221929 13.01048405 17.23945566 19.39034534 23.2817233 14.88775253 8.859990221 36.51610834 13.09608365 21.71437641 7.081503815 3.618784947 12.60248192 9.727674885 11.89588492 15.05498345 15.30810497 7.936603346 6.945118643 10.12537535 7.998754414 6.891134685 10.76569894 11.95119352 11.25156645 8.91870693 12.99188746 5.735362763 13.67749858 16.54774043 5.186420143 PC aa C38:3 749.1892671 851.4198859 650.7654973 221.2453113 828.2933341 664.6654977 256.0615099 651.2926716 998.433442 753.7187892 366.7997741 349.9816993 498.9808488 270.8346563 708.6665341 410.8240528 308.5212526 744.3320205 331.4016821 177.4519092 295.5168415 208.0993181 371.2334944 361.2040757 310.0375516 274.4305282 267.5329552 260.9739075 554.4737189 344.2890903 471.1549402 235.2852123 144.1010812 746.9908848 499.3979484 510.3465858 92.96226317 54.21815261 169.9361739 198.8684157 193.4622752 234.4847723 173.4959134 166.6710235 123.009939 157.7879185 69.07074288 76.47036906 142.9939246 152.4489961 187.1668934 147.1255082 135.8754848 64.44914854 238.2713731 241.6490986 71.19605147 PC aa C38:4 1557.273115 1684.174482 1621.958332 514.5344796 2169.848631 1667.819833 830.1522729 1816.987816 2418.391471 1694.530512 1058.717613 603.5335445 822.65798 869.6570781 1095.103551 778.0489764 690.9865388 1849.41504 647.5212532 361.5260231 642.6433615 549.203007 783.9718962 806.9022352 1197.18423 818.4267808 668.2074742 813.0903896 1545.095174 982.097492 1013.649336 861.1243267 274.5893398 1711.313364 817.2806466 1576.967545 297.4755046 152.7624682 614.0668285 462.3105012 565.3280692 839.0724884 567.8632466 405.173341 281.9870927 349.2047566 274.6289914 240.0639026 411.2250295 387.5950494 506.82511 310.79698 500.9364953 184.984192 637.809714 628.5854154 219.8268433 PC aa C38:5 408.0127542 476.5190136 605.8674769 195.6943177 684.7763408 697.3183458 265.6009175 742.9859774 738.9701747 560.3983644 289.4355042 147.3464354 300.6363097 283.9084794 522.1039692 324.3784426 186.5185572 678.8720302 343.3209747 167.8258272 288.4584495 143.4375696 371.6846279 306.1225667 242.4472573 311.4803117 204.0740109 243.841861 299.2486976 264.3915032 389.4142725 288.1853209 154.3575383 431.5761072 203.7189637 441.9549435 68.89138369 51.8014167 110.6832147 142.0068777 116.4747036 213.1673547 162.4515684 88.66294308 86.28544278 99.02655369 71.74498613 72.98255383 97.07212562 143.3731666 114.4885953 97.64941432 95.97613509 61.3536084 122.0903019 127.5014745 59.57320037 PC aa C38:6 857.5910577 641.0092808 1275.323148 266.8304147 771.3872333 863.6002318 502.855503 775.7742453 1496.316127 978.2899118 431.4706009 361.3902443 496.4977858 522.3032815 804.0151776 430.459144 291.6600484 1031.306999 501.7715125 135.8837836 221.8389336 352.9901731 404.0124507 548.9657669 476.6344021 328.1108203 299.4445582 382.2012816 607.8274518 672.0009472 894.9379161 445.5562715 265.8823504 1441.987615 545.1115067 853.6924314 206.2828665 58.46365102 279.7868343 221.6888392 297.438136 384.3396368 337.6080799 156.1102038 156.7645749 170.8141559 175.3180966 108.1519863 249.4330086 219.1188369 342.4814518 270.6815783 344.7841666 113.8019531 459.8289179 371.4515493 107.8252687 PC aa C40:1 6.086955622 5.137663798 8.396266112 2.673564576 6.370098861 9.754728124 3.677104841 10.07178134 9.67388487 9.489928397 4.871508917 1.924930715 3.539819572 3.870391342 5.860660242 3.974416519 2.786698512 6.15034297 4.941093845 2.265716286 2.772611552 1.980931361 5.687966902 5.699198906 2.958310967 4.562530996 2.703726996 4.118563377 3.979914574 3.823649882 6.544664514 3.432848559 1.789234632 8.331345671 3.661937585 5.224370031 1.660954197 0.926514921 2.544283197 1.740516001 3.294204047 0.666151707 1.687835701 2.896955971 3.405333013 3.353950882 0.810031465 1.911551973 2.289769148 3.610724153 2.006059877 2.793748534 2.385570326 3.343221349 3.15119913 1.656194491 1.527481941 PC aa C40:2 7.750439071 7.966351385 10.18184685 3.737142263 6.954729772 11.2015882 5.249704435 12.96297192 10.49393985 10.59272943 7.148271009 2.950070364 4.882743889 4.368341536 7.443786034 6.596558725 4.012400303 10.9434143 7.168149305 3.031310766 3.970857039 2.423266084 6.613094019 7.526571176 4.117990208 6.13710233 3.052096172 5.277591761 5.580047028 5.752369109 8.053820117 6.075899786 2.97051131 9.644843352 5.01246019 7.944384882 3.486288182 1.449672342 4.128277221 0.741634578 2.791697814 3.004942404 3.869818193 1.93614119 1.650204762 6.090323134 1.60419769 2.9850602 2.008025135 5.375316455 2.313858514 4.322477473 1.5263312 2.883585146 2.3550708 2.584989693 2.384947169 PC aa C40:3 12.87140003 15.74958907 16.27769324 5.526744051 19.67473412 19.62979551 8.231289176 18.25517892 16.74814035 19.71850619 10.7932752 5.442342867 10.19129544 8.696753227 18.18025431 8.513307649 6.654931157 16.80266737 9.206231685 4.475544266 6.129254505 4.739613965 9.401093172 12.67141279 8.289963038 9.007367817 6.616229283 7.636610889 11.36528716 9.867324515 12.82130515 9.543567548 4.733612585 17.00509556 8.155717495 15.77484427 5.056076487 3.519931927 10.48752949 7.423251841 9.776000973 15.81470847 13.08966802 6.54876855 7.95865667 7.264384643 4.95973123 5.331993222 6.866228366 11.02975304 9.741747726 6.85663151 6.878572237 5.91408094 11.17852724 11.39659405 3.928707883 PC aa C40:4 72.53388657 53.38192923 55.05413983 19.61774738 52.18548381 47.54538496 30.64411073 87.96131811 71.66330704 79.26779888 33.02817461 23.83251533 27.13081086 31.04443022 41.72501688 37.53329888 21.79841692 79.70001908 26.19203735 13.80280773 26.02802168 25.18418318 27.77252275 25.9195052 37.72086457 28.58325649 24.63779399 28.34802307 53.64917533 41.07527268 40.41878741 29.89696107 11.15503312 55.80184709 30.75015417 52.43957342 8.870829899 5.69418264 16.17515046 21.24859798 13.35986517 32.12654791 17.80450744 12.45745772 10.95778446 13.13224998 10.1276638 7.994365421 11.29059428 13.08384694 23.30626211 10.02575112 17.0071367 8.065131971 22.29776078 17.85499398 7.195577508 PC aa C40:5 140.0564265 155.1198593 125.7102442 50.73944552 137.9047628 100.4150705 71.27567819 214.6298594 175.8188573 141.8821226 87.95468158 40.58956572 64.97079307 54.77274632 103.9346107 78.74333182 43.57944072 175.9502577 72.00245598 36.86539026 53.42681432 42.8608618 85.06240488 58.1500076 68.62311821 80.80790984 53.65074177 54.5720935 105.6282401 82.57137424 95.3941452 71.63498012 33.9508755 88.2799486 59.84733183 111.7951102 23.03169187 15.22489478 33.13053095 52.08755912 31.89824502 88.45662974 36.57937358 25.82486298 33.00729979 28.43943533 20.38025606 20.31217791 26.91382633 34.02950877 48.96864451 24.73598195 27.91928408 19.27470909 51.87561446 31.30479751 15.48804103 PC aa C40:6 404.714288 345.032003 505.7580772 121.2315578 307.8137658 362.9745514 224.6627801 424.5559066 539.6779311 445.9003068 240.8181675 151.3162105 206.0348735 190.573072 364.0348379 189.2208185 110.3865137 510.4893062 249.5858172 64.77797223 128.6770677 179.7485016 214.8246397 212.0151874 232.1967645 175.4287883 123.8807323 180.987916 309.1613929 361.7554546 418.1174922 213.7458117 117.0932039 554.6769522 257.6397591 362.553048 95.37201801 21.497117 90.65520563 86.07843747 115.063402 169.3224138 117.8578974 55.48056828 68.35434954 65.41678525 66.96628257 44.50346221 98.12214203 81.63808058 152.201641 113.3743809 120.1029831 56.20294235 204.2636233 145.0034133 35.65677181 PC aa C42:0 7.278613068 4.503884342 9.533459746 2.819625381 4.769682434 8.28806727 4.550297682 11.15646305 11.29322371 9.311621213 5.041100803 2.669722752 7.26620093 4.387785758 6.860196213 5.013587975 3.008463783 12.18606925 5.077431515 2.976750217 2.78668507 3.213775587 4.861126186 4.597948235 4.169505721 3.838288495 3.907347349 3.972203849 5.505827422 6.813402279 7.310918854 3.43371965 2.071641089 9.306878959 3.452652049 4.491276608 2.300689709 1.541412361 3.878275759 3.868211072 3.33663956 6.221509433 2.880425812 2.397250143 2.510839022 3.880387307 3.021150635 2.617594654 3.181692272 4.923641984 3.343573855 3.177310581 3.982046083 2.323397155 4.929889138 4.282360171 2.778056864 PC aa C42:1 4.528975902 3.3061843 6.938993396 2.191416569 5.815131902 6.502991873 2.974145444 7.857777135 8.309944853 6.687506385 3.620459762 1.623890333 4.245458716 2.932962376 4.227618153 4.189174174 2.337439022 5.321689251 3.071766812 2.229967756 2.358368253 2.034900557 3.103275794 3.328442121 2.920128392 3.200887132 2.17660014 2.771569413 3.431287676 3.709726598 4.810955779 2.81759399 1.956077861 7.033628464 2.696589777 3.972604376 1.343702812 0.967654197 4.346471599 3.086097566 1.91474893 3.681346615 3.955303139 1.930411108 1.690592146 1.994270765 1.63862908 1.604899582 2.496322228 2.570593696 2.863719255 1.703175862 2.69045076 1.7060835 3.500425104 1.911834583 1.184089046 PC aa C42:2 3.889592004 5.044486815 5.744624215 2.541256736 4.919010723 6.878398075 3.324345557 5.796809502 7.05464384 7.64764661 4.131648979 1.818374972 3.164433857 2.985299559 4.053804897 3.812350738 2.189205834 5.831324728 3.979232248 2.041528706 3.057580832 1.676883019 3.212755324 4.385691473 2.799489518 3.53608005 2.249457839 2.996602217 3.172426729 3.486423963 5.247357417 2.962093031 2.112322772 6.301142037 3.213403773 4.638096785 1.960886115 1.116697731 3.181168084 2.992663738 2.521121811 3.660169018 3.672448526 2.317006707 2.434506835 3.286103285 2.665167283 1.747964321 2.693427551 3.337112134 3.059986495 2.832718401 2.939413416 2.518137081 3.758085267 2.893427942 1.846610527 PC aa C42:4 8.166824086 5.847437994 7.819265355 2.450428194 7.765183787 10.96319624 4.017222969 10.67345732 9.910768519 13.41558506 5.723997309 2.694695426 4.473269248 4.541426992 6.621089425 5.227152269 2.919852026 9.367778595 5.546391001 2.222470394 3.54192071 2.63425471 4.151773147 5.507239383 4.581922638 3.795364648 2.921951724 3.250850754 6.099714225 5.480009395 7.530028286 4.99347 2.159914973 7.645917463 3.371886811 7.399361899 2.404524045 1.097315591 2.139901075 3.19747486 2.025408656 4.986888872 4.241470067 1.569149129 1.468031983 2.500645246 2.900050197 2.004185289 1.913116867 3.247882676 2.651470879 2.002815555 1.632412095 1.775118133 4.695895933 1.371016639 1.297880636 PC aa C42:5 9.080575386 7.001830744 14.84098982 3.535578576 10.26415179 13.28696743 6.096128461 15.23525937 13.12056921 13.80968093 7.740861287 3.152662565 6.006653405 4.950212632 8.957637758 7.600419959 3.44094426 14.68279788 7.823859709 2.216208336 5.397607617 3.425940219 5.848845307 6.996660077 5.589005433 6.694916408 3.825806925 4.695665464 6.769339428 8.501748869 11.90286872 5.761690049 3.75145578 10.76778499 5.092470685 9.599291873 3.337383307 0.785410352 4.492058617 4.647324277 3.79757493 6.448654937 9.713664216 4.132025216 3.573351759 4.625062499 3.317715244 2.432684461 3.592584238 4.710121333 4.545463355 4.07591861 4.339829028 3.500945048 5.427450346 5.907188004 2.097217946 PC aa C42:6 17.84929257 13.6496883 29.48417813 10.74446192 33.49964655 35.60141931 11.96537595 43.74331081 27.86398915 26.26201461 20.62025538 4.989617479 15.05626557 13.12276405 28.12830632 19.03391354 5.204447959 38.37114088 24.24028289 8.642587423 12.31363501 5.591458891 23.79901947 20.22418864 7.145958381 16.72868322 4.734286753 11.13019322 10.56955564 15.72859495 23.72004735 14.77034663 8.634069929 17.58247958 9.710361657 17.44281686 1.834693973 1.430306599 3.103838231 2.096511759 2.721833911 4.638224522 6.392696632 1.356370069 2.958593092 2.689137462 3.701702655 2.305294427 3.063213417 6.354150792 3.934858174 3.279987409 3.565229315 2.792649888 4.261013168 3.143771864 2.611135004 PC ae C30:0 0.857852307 0.687077706 0.986590479 0.284192317 0.811125281 1.471384418 0.476681898 1.289565042 1.587692954 2.187770087 0.500603649 0.274549954 0.894575931 0.458557813 1.283472801 0.777749558 0.30608217 1.737696285 0.829988593 0.368478928 0.403403906 0.32135766 0.70698657 0.794023981 0.456700693 0.56283903 0.293591904 0.36797385 0.59301062 1.00579351 0.86479912 0.539239336 0.234005384 1.417719431 0.37775054 0.824271921 0.934627629 0.296809285 0.923617155 0.68442799 0.631060516 0.996486609 1.471735706 0.677131974 0.918585205 1.114981828 0.596882873 0.606504055 0.731142529 0.977166496 0.871400307 0.876416606 1.272477207 0.540043045 1.011772104 1.037078588 0.660795061 PC ae C30:1 0.827994321 0.448078952 1.110833636 0.281795641 0.804908911 1.2917024 0.594965736 1.202656403 1.420473617 1.590332568 0.444015791 0.281888896 0.685990563 0.48673934 1.095054346 0.628355806 0.31250926 1.722286565 0.731624484 0.334046497 0.536936123 0.351201141 0.783014149 0.716956106 0.400244299 0.453130438 0.299176971 0.524052403 0.427120479 0.93457381 0.887609104 0.522599062 0.231616935 1.351959146 0.328753978 0.727444216 0.732130517 0.334504492 0.371918972 0.537408491 0.432982827 0.622297425 1.094361691 0.35660963 0.586152665 0.889586165 0.55863135 0.469820303 0.301875968 0.89335098 0.254569835 0.659477137 0.469497211 0.447813037 0.244062755 0.792622746 0.510551281 PC ae C30:2 0.386800273 0.275039991 0.400826486 0.131414261 0.259803902 0.454493387 0.214318456 0.402542961 0.610936184 0.734450648 0.279377654 0.105823594 0.289458644 0.21061403 0.392107396 0.315643431 0.148392293 0.535774424 0.329080904 0.128693167 0.198945447 0.148413874 0.277455551 0.34139629 0.245699954 0.24800114 0.147345843 0.22643986 0.280907619 0.409734101 0.370984626 0.28996545 0.1083222 0.424611806 0.189810702 0.358322526 0.737444314 0.255978615 0.414802734 0.463882208 0.30932877 0.639723595 0.665191879 0.30974658 0.444743233 0.626489173 0.373975093 0.377754478 0.40352818 0.612765045 0.514733287 0.46129219 0.457273898 0.450323737 0.494453015 0.499399422 0.322722427 PC ae C32:1 22.18491196 30.04903673 41.69268267 13.50889142 37.68521575 50.3341729 18.4193434 49.22334838 55.61946164 39.85578543 22.29336504 13.55863194 32.15724652 23.71897964 42.81985324 24.31613802 14.8185185 55.22568308 21.92141304 11.89745071 21.3581846 13.20705246 22.97449616 20.50481567 15.20746201 18.66340978 13.71283188 21.49584718 22.3766121 21.77502538 33.31443801 25.34294927 10.32180772 36.25455784 16.47536558 30.08355656 7.808735467 4.966910094 14.88962962 12.35399167 16.50254345 16.27160173 21.11374586 13.01791049 10.33209766 16.11607335 11.61716784 9.59837935 11.5593282 17.65067803 12.58036283 12.01313525 10.17695869 8.12771471 13.90840246 13.34624421 8.892953232 PC ae C32:2 12.83859268 10.55664344 19.51044646 5.56338118 16.49253609 21.33294447 8.36814111 20.06643028 20.46237318 18.99456159 9.406634176 4.45301154 9.74541924 8.688314843 16.49232922 10.89693126 4.600591347 21.42747097 10.90454587 4.619582151 8.735465188 4.032681552 11.68381063 12.79328041 5.667634619 8.976514999 4.275288683 7.494855762 6.142415798 8.409137207 15.78991876 8.306554476 5.064123053 16.23017957 6.432661399 9.861009234 2.319970633 2.091310356 3.792020833 2.747692183 4.909081593 6.983999257 8.352426539 3.524912335 4.14080802 5.374933773 3.960690059 3.570418459 3.883444233 5.776439973 3.294973364 5.234589864 2.811061876 3.311631491 3.454927451 3.998488296 3.862423881 PC ae C34:0 20.8884543 16.92064905 19.71109154 6.551126696 23.00341428 27.23206548 9.746323196 36.55824301 33.24987173 33.76819282 14.47320644 7.455686722 17.92256799 15.2068238 21.00413464 13.19859235 9.570812122 48.07855648 19.89704483 7.676393796 12.56769088 9.7940956 14.85220128 17.35740925 16.38614196 13.63623044 7.677380263 9.041630096 14.97212048 15.45165166 21.97644162 14.06144633 10.17823891 29.23795105 8.448819515 17.373533 4.89878786 2.640429858 7.973127546 8.257237629 7.704253574 9.868918257 12.44611009 5.595867634 13.15627255 8.084783267 5.868609693 4.938031824 10.01181726 9.047528206 8.116042 5.461076187 7.514608593 4.084378703 8.191069243 6.059093876 5.25100604 PC ae C34:1 53.63092563 77.62788458 74.23249491 22.96637807 75.82200223 85.00575609 25.83220897 85.32692593 93.88060506 78.29096835 34.06560544 26.57897398 48.8961995 43.73532338 77.18177059 36.20565037 28.20125911 96.14713085 38.53430549 24.71687601 29.15417219 24.93791461 33.98719595 39.73084498 34.98764678 31.77959812 27.45880231 34.68182256 49.45362254 38.80876055 47.45130699 38.57996024 19.76097711 73.8198789 33.21370325 59.64885198 13.02480599 10.44570555 33.60523661 28.31916136 32.49346508 30.8824 34.48926354 25.53224417 21.26772007 22.52870001 15.71974775 15.17689776 24.88231161 28.84960648 23.80451803 17.12767803 26.02851131 10.20253352 27.13901861 29.41779589 13.86260815 PC ae C34:2 39.51516725 40.43805428 42.27386835 13.32992192 39.48739005 50.4437104 19.02559054 44.26396375 61.03304474 42.97209597 20.79636698 15.23358955 27.40384209 23.37090457 54.3964851 23.56071817 18.02573175 31.90907835 20.29908314 11.91394516 17.26608226 15.50723446 23.62827884 21.13289403 19.54439873 15.75788724 18.07767422 20.98677227 26.65466532 22.7158028 33.88285396 21.22640641 9.947610766 45.31953087 17.26952544 37.33513587 7.480484402 4.918570496 16.46727038 13.44305445 15.82737562 22.08354174 19.632161 12.75141967 10.18714797 12.60792969 7.967102473 9.834125689 12.23055769 13.1803971 15.04388359 10.05388688 14.00720662 5.282429875 16.78751813 13.84642576 8.588233102 PC ae C34:3 23.07336878 15.71500806 24.04898914 5.877356257 20.22921024 26.63872712 11.43785646 26.51417851 37.28882269 21.41954124 11.4352654 6.635931992 13.68755415 12.24649795 30.1799937 11.29673926 7.696549247 23.82933465 10.84052245 4.480902729 8.790438132 9.085437384 10.71045179 11.16655129 8.748674778 9.897950881 8.875677396 12.26500524 11.28735385 12.7751651 23.28415316 10.15403809 4.937155355 24.32599719 7.908366041 16.33851441 4.318391744 2.612725187 11.17744545 8.348748866 7.585466823 9.783947979 12.50868952 5.958087042 3.665940873 9.805859271 5.54705936 5.665021509 6.31882593 8.392312974 8.296733503 4.849573591 7.132749201 3.819995476 9.197541757 7.907901866 5.068869792 PC ae C36:0 13.82716843 13.28328888 15.2776902 5.256257037 13.28452729 16.2044473 7.219102841 19.80323022 19.95137145 22.22164697 9.586504484 6.44119911 11.50634897 8.637567864 17.05094954 10.27321413 6.471210749 27.06562399 12.5942338 4.335969564 6.856917395 5.285678978 7.421338581 11.62710273 8.447151033 10.10614413 5.375718064 9.821991223 10.5592713 9.290651596 11.42861204 8.755661304 5.709292307 19.0923306 7.122859082 11.6708496 4.901769934 2.451812608 7.798220993 6.087816987 9.152778564 10.99983807 10.65498838 5.359361464 5.600750355 8.17244864 5.253651071 4.765647075 5.640533327 7.038266412 7.360080255 5.10692275 4.805075592 4.068680357 6.334700427 6.081172725 3.632310354 PC ae C36:1 59.82329349 58.42566871 61.66754907 19.32782005 53.75950077 70.49561867 26.90830209 87.9351645 82.89876624 87.87706318 31.81876891 22.22428654 44.13505149 36.97318643 79.08816687 35.28416128 27.66625651 66.42237536 40.68795216 16.97213141 20.02387824 26.51729913 27.00741993 36.93749958 35.7615477 30.81480928 19.76292711 25.41056286 36.31316593 36.28748759 49.32727981 33.43080413 19.21332541 71.08562788 27.06028962 50.21746997 11.72383946 9.373905324 26.62248341 22.17553428 20.90656231 31.61791201 25.20678574 18.88509645 24.6001276 21.79445191 17.02319349 13.81198045 25.5312239 25.97885827 25.56220949 16.08895236 20.61780347 11.50606427 25.7887099 29.43666037 14.2264064 PC ae C36:2 37.76788191 33.57328096 34.47032037 9.827686054 39.51141509 48.55874403 16.05125688 44.47220772 53.0432162 43.61876643 16.04579455 13.20057151 23.46377195 18.8563699 57.21616383 20.31397457 17.71081845 44.27581138 21.09354285 9.504057247 11.28752169 16.5742382 17.41565752 19.19322262 18.87953893 15.63572913 13.5722273 15.55694365 19.93424925 19.49286874 32.53253894 16.37745424 9.396147764 45.6823486 13.55658755 26.86917786 5.704192945 3.811616703 13.97612584 12.04388665 12.01346478 14.46702601 13.28837729 8.948283077 11.68186972 11.26578212 6.676278323 8.257976332 10.54885045 12.80516067 13.33397412 7.475650317 12.73290132 4.658030007 13.14379932 10.16080204 6.258016392 PC ae C36:3 24.97076506 32.49452061 26.64513305 8.163473645 30.50873731 32.62431555 9.822888207 29.77080168 35.72774118 34.26006923 12.41841217 11.79464141 21.39128408 14.88940126 38.06997625 18.06341604 12.09096521 33.82240706 15.98703759 8.969069534 8.0757008 9.139034356 13.65908913 14.22279185 11.42442981 10.18200685 12.26956616 8.896053028 21.07826401 16.73574522 22.71071643 10.93073202 7.011476695 30.41223698 16.20752592 21.3544552 4.938680832 3.791579841 13.53101876 12.06051962 12.28468394 13.27700398 12.59349272 10.73365421 9.823586102 11.20370616 4.466606969 6.086060006 8.76741946 12.24910719 11.32529489 8.454569673 9.76978089 3.974824992 12.8128729 13.03759087 6.296454689 PC ae C36:4 105.7632423 124.6229721 140.4087617 42.87651871 124.9285879 134.6054845 50.92881818 136.6501994 175.5595188 132.8447697 82.56116505 46.88934213 80.95438833 76.1796213 107.3667978 73.73180209 52.08760954 147.336412 58.00477924 38.77616745 34.57118535 48.51747771 61.34018899 68.86781565 67.70742184 53.41172863 55.32287219 46.57661101 129.4229433 106.4761305 88.76055666 79.98530077 25.45336876 147.7454318 68.30077146 113.3777302 21.94729172 12.77942212 47.78908027 41.37972105 43.10917765 64.91056125 44.40153974 30.77051738 20.46419866 30.83619555 21.30103501 20.23562804 31.09906548 37.64004355 42.99847747 25.77123495 48.81123784 15.52513538 49.34807945 43.07302484 21.08124791 PC ae C36:5 72.76501758 71.38544198 85.31533002 24.82267817 88.37633514 110.1185416 38.3244386 93.23855587 147.3078782 77.81841841 44.66519388 36.1499581 58.93569461 52.11985561 74.63644995 47.51839891 38.11147871 83.41083534 33.62061069 24.95700764 21.42489202 39.16527295 49.06972129 43.7175407 44.69090956 31.76144975 37.33027622 38.03750041 65.89193109 43.76539213 64.92671208 57.66258052 16.91608508 98.45695195 36.64919055 86.46165336 18.77967684 9.517233644 48.83577696 30.70398579 38.4493571 40.63251392 39.13708999 24.94277792 12.78796867 27.48153236 19.5343324 22.17584131 24.13135336 29.51745358 29.89341167 23.71929492 33.72609517 16.0896357 39.94494901 29.44613306 19.11695564 PC ae C38:0 12.01981274 9.300765451 13.53247572 3.032870944 11.14164885 12.35955369 5.373982469 13.76064655 13.42473153 17.20370581 5.952512017 4.016597374 6.35607889 5.524091329 11.66516616 6.307079338 4.288517484 18.02914099 7.044927264 2.843314149 5.091458356 4.310510549 5.62304693 7.40975712 5.511404069 4.769714577 4.051770913 5.174413339 6.161746587 6.215650983 9.449835987 5.182935831 3.600714011 12.62877533 4.816333021 11.01224095 3.788925738 2.196697416 7.173262864 6.854245412 6.689650615 9.394642749 6.320553089 5.378079159 4.553570928 5.824622254 4.527197407 3.210600755 6.223843227 7.567532249 7.221928878 5.879915362 7.003683188 3.279228136 7.005984397 8.25334518 3.61423211 PC ae C38:1 5.119977041 7.933721616 2.80060048 3.381238227 0 10.11732812 4.492906865 13.62382177 6.615981121 15.3716986 8.173541921 2.416817564 4.709009069 5.727734715 7.944193872 6.184093892 2.932268057 7.825360621 7.729955063 1.453309537 0.356670822 2.486660165 1.703837101 6.509529163 4.61827475 6.607647591 3.184565181 0 5.124657441 6.690456279 7.507735834 4.622984448 3.647159258 9.566409066 5.102808447 7.234352114 1.578022545 0.102718524 0 0.38456131 0.389715968 0 0.188093497 0 0 0.891417141 1.390367768 0.813529269 0.205777287 0 1.070910206 0.217133322 0.457097467 0.813092381 1.420372817 1.432907068 0.416594296 PC ae C38:2 12.22826381 14.15222218 10.6777633 3.32856438 10.03314167 13.04998691 6.433371414 19.24396913 14.99457215 16.42353136 6.271743674 4.186365073 6.949043872 6.550429424 18.35937363 8.38457806 5.245891446 18.28925395 7.362072976 3.232567988 4.482785516 4.207430518 3.561753277 7.732891755 5.809439322 7.645378773 4.530117064 3.816662695 6.112912631 6.759582589 9.229363865 5.499945974 4.054172748 12.99728208 5.353157825 8.18958075 0.52001681 0.282991983 0 0 0.243116724 0 0 0.609555485 0 0.955636477 0 0.770417879 0.94811104 0.058879195 0 0 0 0.302486483 0 0.890940923 0.063811061 PC ae C38:3 41.34717913 41.15415977 35.13144565 13.44469936 50.21565339 46.64092172 19.33859467 52.42499282 57.61598365 63.30211718 25.2787366 16.67230602 32.55145298 20.78727583 49.12477288 24.62922774 18.36824794 53.21804614 22.01781198 13.01193548 14.87220773 14.40089368 18.81373075 26.217139 20.54188665 22.49518437 17.61603169 11.69754218 26.93533247 22.83968337 33.12349335 20.41888909 12.2425216 36.2394464 22.42705682 32.05187833 9.183604494 7.142508303 21.51310399 18.79307206 19.85468079 22.06982842 20.46904435 15.06919682 14.36452669 16.94974768 11.15788749 10.51402979 18.56044071 16.97332974 21.4528134 13.98924042 15.23693908 7.981880657 26.15784375 15.74164625 10.86418018 PC ae C38:4 121.2017518 102.4378002 111.954622 33.91654612 130.7874703 118.3729312 54.36380238 154.0817321 154.9648987 131.4662938 65.09919994 42.80583638 69.70596953 63.48022629 99.7046916 64.58521918 49.86713185 150.348565 60.64015535 30.26922806 32.17067176 46.7812352 35.96261892 56.91641647 75.81169964 51.00093339 45.80142628 55.59236223 99.90595865 87.32087309 81.93269423 65.71626873 23.84194884 131.7492677 50.62043476 96.97173466 18.39584011 9.652216301 43.93006535 30.33564531 33.8653787 51.29504571 42.68271571 25.5844696 22.27773886 25.09457553 19.63724465 19.16545121 28.39797215 32.62591301 36.56133346 22.57282926 40.24205611 14.34351013 40.18958652 41.92104314 17.72512023 PC ae C38:5 95.45751431 100.8772786 103.3458778 36.72205136 106.192328 115.5867148 41.03746962 131.6785489 132.8438019 128.8376318 63.30482978 36.42138448 60.35054445 58.88531849 103.1895465 55.96010314 41.29461316 115.5010099 49.59058327 31.94127657 37.16910779 39.6499903 52.04581919 50.06548492 52.94634008 49.12244445 45.00079629 48.13247206 84.29165545 67.13114948 68.36713922 61.74725244 22.90328705 97.8462226 45.07615491 87.58573055 17.40642048 11.30305226 40.62210469 32.89187062 37.49296648 53.53418386 31.72520995 26.77637837 17.72214485 27.82388211 18.91101299 18.50010475 25.28409923 34.33028824 32.36098965 20.55561287 29.4933906 15.54536283 35.08684484 32.198806 17.13939631 PC ae C38:6 33.5516423 33.88780267 45.05089019 13.1413739 34.79821684 52.45929192 17.85159428 41.81680244 56.3640902 41.68339739 22.87677844 15.02978306 26.44377374 27.43474744 42.84559933 21.99633634 14.86649639 41.95703411 20.63887337 9.878845937 15.72677936 16.96850822 21.47939354 24.21488171 19.6985787 17.23430575 15.50554201 15.36839698 34.27677084 30.54923217 36.48614352 29.39554921 11.15020523 51.87552767 21.60109671 39.80738225 8.668048251 2.80753885 15.85892928 11.89434588 14.25736566 15.79576283 16.29881876 7.359420626 5.948959495 9.084726598 8.176507213 5.957138737 9.670786408 12.02753021 12.80671788 9.850559268 12.06214306 5.884290874 16.10760132 15.43015517 4.775177143 PC ae C40:1 14.44623347 16.81746982 32.35658936 8.532728947 26.85632644 37.07150818 12.52594772 45.37395847 29.69734622 22.92629703 19.0119767 6.081471508 12.96167968 9.80735205 27.86916383 19.82984807 7.430491235 42.48790496 19.67648321 9.496355352 12.63420908 4.178780443 20.37401662 25.23323852 11.15346686 16.76981529 6.684713461 18.50797943 12.04315357 14.74965205 23.42645567 17.76522995 6.234428036 16.93387896 9.754120134 19.88211159 20.43626075 12.2962452 14.19507207 9.914985031 13.47624354 28.07654012 41.58711759 12.58116476 26.53594161 27.9685576 24.31402606 16.54483436 13.7519059 30.67781282 14.93734031 32.11055144 14.85412862 22.70236841 13.04426729 15.79452681 19.63056568 PC ae C40:2 12.58169235 10.45197831 12.7034341 4.980100535 17.75858154 17.28908419 5.954119655 17.98464571 15.29074775 18.99475871 8.898529801 4.300822838 9.314815719 6.32970043 18.99286399 8.93259403 6.973118288 17.86816968 9.016425584 3.665545015 6.482369938 5.001155917 7.789534137 9.089309538 7.089182514 7.122961573 4.119117421 6.688371855 6.926118826 7.428599831 9.636605686 5.23980836 4.318234589 12.98716147 5.947438895 10.07318332 2.689952544 1.820586632 3.962036489 3.120618569 3.074539827 5.666316363 6.487664514 2.923165493 4.075913027 4.305701847 3.991669514 3.068000912 3.286658918 5.64321684 5.283304189 4.98526748 2.677709215 3.874106784 4.871852536 4.327376685 3.880906067 PC ae C40:3 17.99980207 16.76210014 17.70959526 6.930618674 20.41240319 21.2920861 11.18167117 24.17285032 24.58224402 24.98612462 12.94788946 6.210398048 11.50403964 9.691747855 20.29632357 14.1308372 7.467582765 27.16463608 12.17478573 5.517155188 9.616024301 6.24067244 9.229629367 12.14537829 10.66289781 13.34621633 6.721940006 7.222127643 12.93743404 11.33286972 14.64274318 10.32839695 6.536973848 19.51609912 9.652114838 13.11645807 6.377390429 2.852715677 10.7091337 5.313243139 5.975839866 11.97870838 8.572225471 6.737069815 5.956931634 8.625248872 4.749384092 4.587777685 6.761944803 6.532295132 7.121832137 5.147075493 7.160851574 4.754423057 11.23439548 9.927027271 4.755555309 PC ae C40:4 34.32777696 27.34802109 33.2898744 9.541018316 29.77058769 26.98564978 16.4940177 50.22912643 52.25046506 52.60085768 20.05685311 10.79616493 16.99294771 16.68158215 31.04550049 17.2183464 12.66271595 43.48472113 17.36494258 8.527421428 8.861281935 11.45788768 14.03605605 14.2246174 23.46947608 15.30848952 11.8577309 14.05060982 22.15427765 25.12541433 22.7628746 18.17408287 8.916793872 34.72221729 12.78844414 23.28107628 5.722435166 2.842072838 10.67234624 7.237694456 7.614409167 11.93927838 15.64343081 4.713934779 5.956159578 7.06282504 4.145085806 4.877476904 10.01193795 8.2602788 10.35734365 6.8839916 10.39592254 4.564308278 10.86002642 9.387591306 4.86313758 PC ae C40:5 31.06593151 25.56184442 33.99804104 10.80562868 32.91218046 33.93133305 15.02649342 50.90343051 39.22162391 45.34912497 22.54543126 9.342397943 17.52340717 18.89055006 29.85531485 20.51676189 11.63714146 44.23007205 19.62336865 9.719755538 14.99623839 11.64541175 12.12764077 17.09246294 17.90430083 19.92417145 13.74192355 14.76870339 21.39644762 22.66732395 22.91851995 18.48816567 9.763679309 28.43679072 13.70668573 25.9454895 6.253614025 3.196610328 8.652470531 10.65294965 10.27598544 17.77273778 13.7932145 8.41835905 8.810076087 8.270079148 6.657353501 6.386722042 9.366738139 12.8109655 9.488366813 7.217203603 10.61084581 5.285070148 11.51710965 12.68651985 5.149047623 PC ae C40:6 27.58250358 23.1784264 33.12605132 8.904831832 28.95443707 32.09440425 17.05419791 41.55833488 43.83267879 42.6526002 17.89348204 10.94749711 18.1524175 18.65152033 32.21427342 15.95276683 9.852820126 36.39420998 20.69938415 6.9722559 7.375971346 15.79992426 14.61038801 17.40840059 18.30339792 13.1163849 11.28205178 10.96117229 20.64556661 24.89932653 28.75428117 16.90119263 9.060428881 40.97735563 13.64067316 24.79520031 5.381872794 2.001865761 9.803790347 6.524328754 8.367509851 13.62221315 12.6823651 4.388940093 6.252842445 5.151009278 6.272748876 3.805062532 6.784159501 7.308662058 10.61945284 6.188170387 9.219702371 4.32953633 13.40750197 7.516151324 4.087324942 PC ae C42:0 9.131388165 7.196947318 12.87011678 4.250446976 16.45899207 18.28866465 5.087637827 23.35706984 14.73660546 12.02861764 8.146340762 2.419790276 7.824810403 4.128491115 18.65281616 12.31785566 2.760488636 19.74755552 12.21469082 4.07141846 5.152282441 1.974097171 8.045858685 11.41130254 2.975952475 8.918908009 2.319850152 7.293789198 5.815445562 9.117740346 12.67092651 6.437445264 2.93379989 7.186957714 5.189665508 8.403158092 7.163862625 3.881549921 5.05981459 5.150403576 5.646486086 11.41235702 14.73185675 5.619761325 13.86091613 15.49797588 9.39757281 7.681379199 6.158364319 10.66748779 6.388849126 15.32464287 3.305883587 10.69532842 6.484902253 7.505385857 8.775743099 PC ae C42:1 12.81127885 10.24338015 21.4492389 6.047927507 19.08514735 24.38214302 10.11631329 39.36461188 19.69895887 17.84551758 14.42148797 3.053852697 8.755457896 6.335439831 19.80826185 14.4768384 3.953479695 32.49304346 14.26165692 5.882976408 9.653196725 2.824590801 14.90547997 14.28428763 6.197367973 13.73959126 3.044529152 13.3578443 8.100331539 12.66129796 17.87294826 12.19212652 4.053956272 9.537947039 6.185379162 11.73117568 10.5420803 5.025432478 6.528051366 7.14009318 7.554102832 16.25679077 22.21924861 5.412449533 18.29576231 17.44131973 14.87317224 10.95777682 8.785201983 13.39239137 8.532847651 19.21652079 5.372423768 17.76538842 8.278625314 10.21554241 11.12633274 PC ae C42:2 4.430447903 4.582816314 6.869180957 2.215684894 6.364566735 6.566391743 2.567073397 7.579736487 7.336427837 5.98272842 4.13526844 1.777077025 3.053204296 2.69334484 5.272601049 4.677147839 1.652617422 8.401913862 4.223645573 2.017935031 2.624273259 1.527780996 3.287719713 4.230857594 2.442914009 4.049917754 1.903978981 2.835756626 3.407623201 3.724261784 3.542680556 3.285847828 1.933672927 4.964060559 2.722964006 4.192403891 3.152758668 2.53087738 1.466993481 3.136653383 3.045649279 4.822969829 7.093043817 2.2881406 3.806444436 3.331797204 4.475104816 3.339300925 2.823544897 5.233542215 2.152706919 3.948227124 2.713591797 3.519980215 3.872981846 2.519671261 3.525488987 PC ae C42:3 10.45964301 10.40447247 28.82221417 8.052157394 17.10866499 36.73013229 13.10512328 44.87819822 24.96970874 16.39722518 21.48040171 4.043569496 11.64722023 9.939901415 36.77413899 19.95759925 4.027197876 38.05051346 29.01551069 6.668750828 19.03504447 4.493732126 27.41714467 25.68738146 5.040218244 14.38873531 3.430251807 10.98762837 6.182347002 12.84234364 45.02877059 14.92180685 8.950846167 14.41477027 7.914190914 11.63088388 9.293900599 3.747968385 6.455507536 5.703551643 6.746984249 22.35475149 54.25470653 4.627881719 14.35156476 21.49374933 14.25771841 11.36813544 10.96722211 35.57773739 7.370142876 20.27611648 7.297533312 13.62310328 10.11207832 10.44587327 8.835482791 PC ae C42:4 10.20356089 6.372113845 11.74204403 3.24363952 6.199261676 10.94705969 4.689152333 14.9925759 11.50057867 14.21002392 7.503868322 3.274277681 5.985520019 5.06592917 10.00040947 7.536828161 4.031401241 15.56029955 7.630230943 2.985723481 4.701397904 3.959555337 4.949165699 6.256457209 5.549549217 4.079260853 3.72142846 3.59476533 6.689536662 6.377542841 9.360788435 5.429050078 3.152072603 13.15114595 4.664714822 6.609664853 2.141895371 1.048089511 2.657479147 2.928660021 3.235897392 2.799061918 8.583802512 2.239556174 1.949540643 1.860240952 2.208813293 1.984255016 1.767284544 4.043126576 2.855571875 2.111947527 2.736217841 2.031897996 3.087339337 1.946921471 1.728418105 PC ae C42:5 14.79501982 9.861881009 18.99451395 6.319216067 14.42031231 14.76468914 7.655341615 26.92292081 20.58178985 23.69189041 10.97601862 5.404553127 9.806916123 7.831292052 14.48226836 10.3121211 6.717593697 22.77455443 10.64148781 5.109312347 5.249995069 5.725871419 8.617390334 7.319085138 10.20186491 7.691419253 6.625817489 7.243567527 10.19056557 15.66198152 12.21277551 8.321713639 4.358662915 17.50467786 7.129710127 10.94393286 3.03565722 1.15711647 4.967873028 5.556173047 3.855881553 6.198212533 6.767320591 2.742938068 2.46099311 4.400934112 2.875205482 2.641662737 4.670745875 6.146845177 6.094086637 3.459605442 6.486262402 2.901594342 5.774195927 4.323563132 2.665351461 PC ae C44:3 6.35846737 3.812901642 12.75348546 4.357215417 7.902365897 18.03131393 5.926938488 19.64578345 9.127310981 9.168653546 11.96245366 1.291212994 4.999104684 4.821414212 12.45702881 9.138163134 1.740413557 17.11376597 14.07961852 3.223364783 8.8774539 2.123874155 11.95242281 11.02027637 1.739976213 7.328664889 1.472381975 4.586658786 2.854916555 5.197516706 20.03151407 7.046225649 4.574651925 5.315975252 3.713718283 5.030842692 2.891214184 1.833301844 1.922864415 3.104284661 3.56639533 7.618566056 15.56947956 1.215380908 6.995331794 8.662345652 4.873380792 6.475384094 4.767071551 14.70980878 2.498216397 7.127600709 1.489799235 6.406689867 4.004658817 3.181818378 4.493475451 PC ae C44:4 9.526609623 5.385459387 12.91536359 3.973389699 13.23156404 15.50947864 6.000452431 21.18602181 13.29818518 12.22929409 9.927710852 2.160755453 6.702927528 4.034364417 14.65142944 11.97477394 2.519254518 15.67574963 11.79861528 4.034495062 8.681179404 2.463918778 10.72905519 11.70024627 3.052174856 6.884260105 2.215647834 4.578600428 4.134456902 6.204721767 14.07229388 5.458423861 3.482849999 6.591946765 4.754677764 5.886511628 2.60798613 2.221581668 3.976653538 3.696423711 3.398228099 12.44438746 27.77043367 2.126587006 9.895262045 13.41699375 5.526029813 5.446694016 3.377262165 17.54457172 4.327657425 8.371585904 2.264070501 7.280145045 3.264293801 3.787239277 5.126111391 PC ae C44:5 12.05373125 10.08286001 24.55758643 7.237368714 0 21.35629138 8.957629804 37.65544034 20.10899652 26.73926547 15.62104695 4.397657514 12.10298024 10.01001982 20.68193797 12.4986906 6.178752936 29.57706977 15.27334539 6.448579744 6.672181803 5.79802733 11.68869768 11.34246116 10.17421096 8.661893828 6.348046508 7.463397212 9.286659512 14.75867184 14.30502464 10.98210106 4.722282755 18.14339016 7.171770873 12.65879314 5.821037027 2.638282876 6.523557189 5.641089437 5.469629179 13.23992301 31.44047052 4.061902906 7.706424058 11.17046773 7.076087711 5.319481374 5.43260072 16.52375111 6.460656111 8.151130454 5.699704892 7.206115137 6.034887487 7.334421159 5.555653322 PC ae C44:6 15.02700459 8.286374932 17.91970032 5.529861216 15.17376742 17.38170437 8.447508967 21.04277564 23.81990436 16.84814358 12.4007008 5.211495201 10.99858676 8.610345584 10.18787657 11.49886438 7.348497638 20.02331714 10.8011893 4.389094792 4.322059905 6.934021883 9.407693893 7.123362026 8.730951804 6.748230227 6.140733655 9.037583351 8.736280963 13.57202157 14.93734087 6.473660036 3.469029782 19.17377168 6.755473447 8.516212128 2.29294648 1.775145099 5.425165752 5.526311306 4.002719549 3.774826379 8.24149875 2.914933805 2.250974772 5.042796482 2.362889807 3.352238372 2.605235319 5.632075304 4.625676872 3.655861259 6.419241122 2.504722936 4.742945994 6.020658506 1.242024948 SM (OH) C14:1 324.7724789 188.5653269 97.71963729 508.0741655 327.3270065 273.0082855 526.0590371 74.18418022 72.83490315 532.4781111 165.5581742 973.3197104 91.65980241 667.2192594 115.4092869 466.1566135 226.8741825 77.71192464 103.958434 103.6744504 50.00892942 265.8807179 179.9539122 157.2980504 84.43799368 27.74550863 160.3196097 95.29632866 563.5388156 75.86550249 132.6758465 68.07078922 74.43982218 174.0100526 213.724251 290.5035522 133.1299964 SM (OH) C16:1 325.69311 161.9922 103.3011242 548.8368448 399.586371 313.8556983 555.4270273 74.9198518 71.92971715 479.9857874 151.6523567 844.0433431 99.29078842 580.5845999 116.4988816 457.8518827 200.1309627 71.53224801 103.5174848 104.2986918 61.66181914 253.4940906 191.632084 144.4854686 92.74166144 28.10541512 151.5606914 86.0628378 620.661939 71.93510638 115.0772637 58.20182503 59.67795346 142.8498167 146.7317544 222.3668901 111.4327106 SM (OH) C22:1 1704.002047 614.5225211 332.2772163 2013.474142 940.5204703 1634.813503 3396.580273 239.9286034 354.5115919 2025.684462 493.5454477 4930.385357 346.2675687 2778.127582 267.9418378 2150.078862 721.5540552 158.5061086 447.2613693 238.6141254 250.5373452 997.787766 664.1902989 456.5364391 352.825764 117.7723159 704.7090211 346.6383079 1909.068253 216.3702442 377.6779453 271.8276176 175.0348794 491.3736843 544.7549424 970.1618614 380.8427477 SM (OH) C22:2 1589.575204 453.5535186 303.1354906 2037.685605 776.3602188 1166.646737 2584.663442 240.9889986 304.5212883 1920.525393 470.6538202 4001.308247 285.319776 2315.937023 225.5757567 1806.578943 715.9682086 128.2187167 442.185419 207.9770887 208.0002202 1012.55 631.2837509 380.0126927 341.9285612 87.43224171 763.5819869 372.8039887 1930.626076 295.3513854 626.8223641 293.680555 221.182797 650.2434634 735.9477649 1078.926574 488.83618 SM (OH) C24:1 279.3482622 81.41178908 54.85339716 308.8632648 182.7993881 239.8687015 700.1154818 44.12934151 46.02937372 432.1955272 76.77445 592.7048541 56.50231708 438.9630278 61.02256816 473.3667422 113.6369756 33.00334982 92.7102058 56.47017596 34.96901964 107.3424929 106.9248155 67.44522312 49.22525221 22.85376976 103.4832154 55.21946427 356.4797099 39.96661608 57.18884184 44.86627141 29.39997623 52.7732053 78.35391063 101.9536573 61.50981301 SM C16:0 9977.929039 5504.744963 3126.974132 16029.22275 9099.944291 10286.86702 18579.74153 2113.541923 2638.998138 16876.60352 4554.498512 26154.7237 2403.324018 14856.50833 3112.417913 12476.32398 5764.636949 1938.99887 2999.268334 2465.576153 2110.424061 8460.887337 7395.534812 4010.475662 2306.594963 856.3602824 5173.846045 3036.59509 19483.1303 2344.725857 3605.997643 1494.466248 1762.597176 5648.011852 5672.37336 6771.150706 4285.556411 SM C16:1 1392.153357 760.69328 380.339783 2174.040937 1260.433779 1341.730325 1955.851332 259.2157094 400.2115136 2317.094701 613.0899431 3319.452578 437.2314594 1845.017737 310.9111302 1735.157784 596.5757224 230.5227094 460.0190677 265.2723349 351.2129093 1056.122057 1199.142532 460.5504855 345.740537 110.0193184 790.1424502 533.5261923 3163.438765 440.753508 637.0438228 249.3604924 290.8386272 814.0057339 1117.858207 1073.453951 811.8064625 SM C18:0 3969.140022 2368.924735 1382.931433 8338.213015 4454.537922 4367.594739 6591.98301 962.5293826 916.8242475 7542.38406 2100.763322 10760.4683 1229.344457 6475.737927 1292.807096 5683.000746 2712.116806 769.2165321 1255.766898 927.5023635 1018.147805 3286.514126 3056.383055 1649.439789 1081.470394 313.6433936 2286.079558 1235.358275 9064.925662 844.6098063 1215.152543 468.4979204 568.7498699 1788.25127 1519.312243 1870.314607 1286.329588 SM C18:1 2069.912966 1174.787306 587.3508516 4068.526733 1894.839578 1841.459811 2639.625185 394.9192596 545.1083315 3267.099871 964.6089002 4491.067912 681.6762319 1974.02901 467.6918054 3206.721438 978.5153537 311.1249317 761.9294007 344.8330733 509.0215546 1672.721022 1666.220345 733.4328876 570.5705732 136.8079208 1274.17181 782.2454768 5129.319038 512.0384873 886.5813075 277.4107953 344.7566499 986.2684317 1023.751287 939.7722235 941.1501948 SM C20:2 40.18290759 30.44392047 15.20093745 131.445091 45.54169027 19.3791322 69.90073996 13.53928186 10.86913432 50.72531138 18.88835574 117.3674758 19.9967188 155.2562078 6.667473183 75.34699613 29.03510867 8.527462104 17.11239417 10.92345091 14.6996504 23.48386848 40.20333633 13.40961631 3.066303096 3.369960069 18.36106414 10.25331125 73.64352589 13.79824769 22.85153019 5.063459105 11.46866019 45.72131294 34.17376273 28.65816507 20.75494489 SM C24:0 5255.11459 2781.862582 1391.355413 7414.612011 3297.426334 6247.817571 10894.13164 1181.888898 1468.753417 9822.917696 1969.035475 15889.51342 1406.732342 8836.387645 1789.486316 6515.178134 2781.606626 1007.916424 1997.857783 1151.81196 1304.007098 4142.560446 3932.676834 1991.062233 1086.951142 525.1119249 3442.430159 1655.32713 10407.51082 809.9135671 1152.277541 591.3177304 583.7477784 1829.439515 2469.011413 1947.353586 1588.087695 SM C24:1 9369.92588 5296.830373 3020.608624 19636.09511 8150.183043 10047.50289 13593.97594 1895.314266 2638.169556 17167.82649 4893.711468 30508.711 2686.87677 11503.72538 2774.712007 11734.62316 5304.761426 1728.258635 3615.400681 1899.088584 2701.463288 9604.532065 7168.144016 2808.37537 2248.824031 850.5909043 5847.894118 2633.886509 21017.92001 4564.681889 6009.466209 2623.721281 2520.034984 8777.365808 10334.53987 9912.065258 8032.63775 SM C26:0 45.35173839 17.35351049 15.02829249 59.4893164 43.55748163 57.45625435 211.2413262 11.73450486 10.54942789 91.64276125 14.10848724 150.1624847 12.3032837 116.9620367 21.65945205 82.01128905 1.141383911 10.18594182 22.19183791 17.98017685 11.24944605 25.24545991 27.17727734 19.7571799 12.27422819 8.950847737 31.65250841 14.84025402 83.49378404 20.63635563 24.08806192 20.54362873 9.353065004 39.07969444 42.94764038 54.38301937 66.46042719 SM C26:1 59.98070194 39.49041699 15.73919161 120.4455023 83.31577971 106.4971068 201.903707 19.12871945 20.33183292 189.3275625 32.16235827 203.4956345 25.09441802 198.6218278 36.09003314 102.4747167 39.64757501 14.86029362 39.65231183 21.54917829 22.91556772 50.81887935 72.87373921 26.54668301 15.07289652 9.688135792 52.32212949 20.8766841 103.0251296 24.69810074 44.99945142 13.31990418 12.78803847 25.22814768 53.42778245 48.05436175 58.47963978 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name rtimes (min) HMDB KEGG Pathway Class Histidine 2.04 isoleucine 5.03 Proline 3.87 Tryptophan 4.95 N-Acetyl-l-ornithine 2.24 Kynurenine 4.90 Methionine sulfoxide 2.76 trans-4-Hydroxy-L-proline 2.69 Putrescine 5.04 Spermidine 5.41 Spermine 5.61 1,5-Anhydrosorbitol HMDB02712 2-Hydroxy-3-methylbutyric acid HMDB00407 2-Hydroxybutyric acid HMDB00008 C05984 Propanoate metabolism Carbohydrate metabolism 2-Hydroxypyridine HMDB13751 3-hydroxypyridine NA 3-Methyl-2-oxovaleric acid HMDB00491 Alpha-ketoisovaleric acid HMDB00019 C00141 Valine, leucine and isoleucine degradation; Valine, leucine and isoleucine biosynthesis; Pantothenate and CoA biosynthesis Amino acid metabolism; Metabolism of cofactors and vitamins Alpha-Lactose HMDB00186 C00243 Galactose metabolism Carbohydrate metabolism Arachidic acid HMDB02212 C06425 Biosynthesis of unsaturated fatty acids Lipid metabolism Arachidonic acid HMDB01043 C00219 Biosynthesis of unsaturated fatty acids; Arachidonic acid metabolism Lipid metabolism Benzoic acid HMDB01870 C00180 Toluene degradation; Aminobenzoate degradation; Benzoate degradation; Phenylalanine metabolism; Dioxin degradation Xenobiotics biodegradation and metabolism; Amino acid metabolism Beta-Alanine HMDB00056 C00099 beta-Alanine metabolism; Propanoate metabolism; Pantothenate and CoA biosynthesis; Pyrimidine metabolism Metabolism of other amino acids; Carbohydrate metabolism; Metabolism of cofactors and vitamins; Nucleotide metabolism Caproic acid HMDB00535 Carnosine HMDB00033 C00386 beta-Alanine metabolism; Histidine metabolism Metabolism of other amino acids; Amino acid metabolism Citric acid HMDB00094 C00158 Glyoxylate and dicarboxylate metabolism; Citrate cycle (TCA cycle); Alanine, aspartate and glutamate metabolism; Carbon fixation pathways in prokaryotes Carbohydrate metabolism; Amino acid metabolism; Energy metabolism Creatinine HMDB00562 C00791 Arginine and proline metabolism Amino acid metabolism D-2-Hydroxyglutaric acid HMDB00606 D-Fructose HMDB00660 C02336 Amino sugar and nucleotide sugar metabolism; Starch and sucrose metabolism Carbohydrate metabolism D-Galactose HMDB00143 C00984 Galactose metabolism; Amino sugar and nucleotide sugar metabolism Carbohydrate metabolism D-Glucose HMDB00122 C00031 Pentose phosphate pathway; Indole alkaloid biosynthesis; Streptomycin biosynthesis; Galactose metabolism; Butirosin and neomycin biosynthesis; Starch and sucrose metabolism; Amino sugar and nucleotide sugar metabolism; Glycolysis / Gluconeogenesis Carbohydrate metabolism; Biosynthesis of other secondary metabolites D-Threitol HMDB04136 D-Xylose HMDB00098 C00181 Amino sugar and nucleotide sugar metabolism; Starch and sucrose metabolism; Pentose and glucuronate interconversions Carbohydrate metabolism Docosahexaenoic acid HMDB02183 C06429 Biosynthesis of unsaturated fatty acids Lipid metabolism Dodecanoic acid HMDB00638 C02679 Fatty acid biosynthesis Lipid metabolism Erythrose HMDB02649 Fumaric acid HMDB00134 C00122 Pyruvate metabolism; Phenylalanine metabolism; Butanoate metabolism; Citrate cycle (TCA cycle); Carbon fixation pathways in prokaryotes; Arginine biosynthesis; Alanine, aspartate and glutamate metabolism; Tyrosine metabolism; Styrene degradation; Nicotinate and nicotinamide metabolism Carbohydrate metabolism; Amino acid metabolism; Energy metabolism; Xenobiotics biodegradation and metabolism; Metabolism of cofactors and vitamins Galactonic acid HMDB00565 C00880 Galactose metabolism Carbohydrate metabolism Glutaric acid HMDB00661 C00489 Lysine degradation Amino acid metabolism Glyceric acid HMDB00139 C00258 Glyoxylate and dicarboxylate metabolism; Pentose phosphate pathway; Glycine, serine and threonine metabolism; Glycerolipid metabolism; Methane metabolism Carbohydrate metabolism; Amino acid metabolism; Lipid metabolism; Energy metabolism Glycerol HMDB00131 C00116 Glycerolipid metabolism; Galactose metabolism; Pentose and glucuronate interconversions Lipid metabolism; Carbohydrate metabolism Glycerol 3-phosphate HMDB00126 C00093 Glycerophospholipid metabolism; Glycerolipid metabolism Lipid metabolism Glycine HMDB00123 C00037 Primary bile acid biosynthesis; Glycine, serine and threonine metabolism; Glyoxylate and dicarboxylate metabolism; Methane metabolism; Glutathione metabolism; Purine metabolism; Porphyrin and chlorophyll metabolism; Cyanoamino acid metabolism; Thiamine metabolism Lipid metabolism; Amino acid metabolism; Carbohydrate metabolism; Energy metabolism; Metabolism of other amino acids; Nucleotide metabolism; Metabolism of cofactors and vitamins Glycolic acid HMDB00115 C00160 Chloroalkane and chloroalkene degradation; Glyoxylate and dicarboxylate metabolism; Chlorocyclohexane and chlorobenzene degradation Xenobiotics biodegradation and metabolism; Carbohydrate metabolism Indoxyl sulfate HMDB00682 Isocitric acid HMDB00193 C00311 Citrate cycle (TCA cycle); Carbon fixation pathways in prokaryotes; Glyoxylate and dicarboxylate metabolism Carbohydrate metabolism; Energy metabolism L-Alanine HMDB00161 C00041 Alanine, aspartate and glutamate metabolism; Carbon fixation in photosynthetic organisms; Selenocompound metabolism; Cysteine and methionine metabolism; Taurine and hypotaurine metabolism; D-Alanine metabolism Amino acid metabolism; Energy metabolism; Metabolism of other amino acids L-Alloisoleucine HMDB00557 L-Alpha-aminobutyric acid HMDB00452 C02356 Cysteine and methionine metabolism Amino acid metabolism L-Arabitol HMDB01851 C00532 Pentose and glucuronate interconversions Carbohydrate metabolism L-Arginine HMDB00517 C00062 Arginine biosynthesis; Arginine and proline metabolism; Monobactam biosynthesis; Clavulanic acid biosynthesis Amino acid metabolism; Biosynthesis of other secondary metabolites L-Asparagine HMDB00168 C00152 Cyanoamino acid metabolism; Alanine, aspartate and glutamate metabolism Metabolism of other amino acids; Amino acid metabolism L-Aspartic acid HMDB00191 C00049 Lysine biosynthesis; Monobactam biosynthesis; Nicotinate and nicotinamide metabolism; Alanine, aspartate and glutamate metabolism; Cysteine and methionine metabolism; Histidine metabolism; Carbon fixation in photosynthetic organisms; Cyanoamino acid metabolism; Glycine, serine and threonine metabolism; Pantothenate and CoA biosynthesis; beta-Alanine metabolism; Arginine biosynthesis Amino acid metabolism; Biosynthesis of other secondary metabolites; Metabolism of cofactors and vitamins; Energy metabolism; Metabolism of other amino acids L-Cysteine HMDB00574 L-Cystine HMDB00192 C00491 Cysteine and methionine metabolism Amino acid metabolism L-Glutamic acid HMDB00148 C00025 D-Glutamine and D-glutamate metabolism; Arginine and proline metabolism; Glutathione metabolism; Alanine, aspartate and glutamate metabolism; Arginine biosynthesis; Porphyrin and chlorophyll metabolism; C5-Branched dibasic acid metabolism; Taurine and hypotaurine metabolism; Histidine metabolism; Butirosin and neomycin biosynthesis; Glyoxylate and dicarboxylate metabolism; Butanoate metabolism; Nitrogen metabolism; Carbapenem biosynthesis Metabolism of other amino acids; Amino acid metabolism; Metabolism of cofactors and vitamins; Carbohydrate metabolism; Biosynthesis of other secondary metabolites; Energy metabolism L-Glutamine HMDB00641 C00064 Alanine, aspartate and glutamate metabolism; Glyoxylate and dicarboxylate metabolism; Purine metabolism; D-Glutamine and D-glutamate metabolism; Arginine biosynthesis; Nitrogen metabolism; Pyrimidine metabolism Amino acid metabolism; Carbohydrate metabolism; Nucleotide metabolism; Metabolism of other amino acids; Energy metabolism L-Lactic acid HMDB00190 C00186 Fructose and mannose metabolism; Propanoate metabolism; Glycolysis / Gluconeogenesis; Styrene degradation; Pyruvate metabolism Carbohydrate metabolism; Xenobiotics biodegradation and metabolism L-Leucine HMDB00687 C00123 Valine, leucine and isoleucine degradation; Valine, leucine and isoleucine biosynthesis Amino acid metabolism L-Lysine HMDB00182 C00047 Biotin metabolism; Lysine biosynthesis; Tropane, piperidine and pyridine alkaloid biosynthesis; Lysine degradation Metabolism of cofactors and vitamins; Amino acid metabolism; Biosynthesis of other secondary metabolites L-Methionine HMDB00696 C00073 Cysteine and methionine metabolism Amino acid metabolism L-Phenylalanine HMDB00159 C00079 Tropane, piperidine and pyridine alkaloid biosynthesis; Phenylpropanoid biosynthesis; Phenylalanine metabolism; Glucosinolate biosynthesis; Phenylalanine, tyrosine and tryptophan biosynthesis; Cyanoamino acid metabolism Biosynthesis of other secondary metabolites; Amino acid metabolism; Metabolism of other amino acids L-Pipecolic acid HMDB00716 C00408 Tropane, piperidine and pyridine alkaloid biosynthesis; Lysine degradation Biosynthesis of other secondary metabolites; Amino acid metabolism L-Serine HMDB00187 C00065 Methane metabolism; Sulfur metabolism; Glyoxylate and dicarboxylate metabolism; Glycine, serine and threonine metabolism; Sphingolipid metabolism; Cysteine and methionine metabolism; Monobactam biosynthesis; Cyanoamino acid metabolism Energy metabolism; Carbohydrate metabolism; Amino acid metabolism; Lipid metabolism; Biosynthesis of other secondary metabolites; Metabolism of other amino acids L-Sorbose HMDB01266 L-Threonine HMDB00167 C00188 Glycine, serine and threonine metabolism; Valine, leucine and isoleucine biosynthesis; Porphyrin and chlorophyll metabolism Amino acid metabolism; Metabolism of cofactors and vitamins L-Tyrosine HMDB00158 C00082 Glucosinolate biosynthesis; Puromycin biosynthesis; Novobiocin biosynthesis; Betalain biosynthesis; Biosynthesis of vancomycin group antibiotics; Cyanoamino acid metabolism; Tyrosine metabolism; Thiamine metabolism; Ubiquinone and other terpenoid-quinone biosynthesis; Phenylalanine metabolism; Phenylalanine, tyrosine and tryptophan biosynthesis; Phenylpropanoid biosynthesis; Monobactam biosynthesis; Isoquinoline alkaloid biosynthesis Biosynthesis of other secondary metabolites; Metabolism of terpenoids and polyketides; Metabolism of other amino acids; Amino acid metabolism; Metabolism of cofactors and vitamins L-Valine HMDB00883 C00183 Valine, leucine and isoleucine degradation; Glucosinolate biosynthesis; Pantothenate and CoA biosynthesis; Valine, leucine and isoleucine biosynthesis; Penicillin and cephalosporin biosynthesis; Cyanoamino acid metabolism Amino acid metabolism; Biosynthesis of other secondary metabolites; Metabolism of cofactors and vitamins; Metabolism of other amino acids Linoleic acid HMDB00673 C01595 Linoleic acid metabolism; Biosynthesis of unsaturated fatty acids Lipid metabolism Maleic acid HMDB00176 C01384 Butanoate metabolism; Nicotinate and nicotinamide metabolism Carbohydrate metabolism; Metabolism of cofactors and vitamins Malic acid HMDB00744 Mannitol HMDB00765 C00392 Fructose and mannose metabolism Carbohydrate metabolism Methylcysteine HMDB02108 Myoinositol HMDB00211 C00137 Inositol phosphate metabolism; Ascorbate and aldarate metabolism; Galactose metabolism; Streptomycin biosynthesis Carbohydrate metabolism; Biosynthesis of other secondary metabolites O-Phosphoethanolamine HMDB00224 C00346 Sphingolipid metabolism; Glycerophospholipid metabolism Lipid metabolism Oleic acid HMDB00207 C00712 Biosynthesis of unsaturated fatty acids; Fatty acid biosynthesis; Cutin, suberine and wax biosynthesis Lipid metabolism Ornithine HMDB00214 C00077 Arginine biosynthesis; Arginine and proline metabolism; Glutathione metabolism Amino acid metabolism; Metabolism of other amino acids Palmitic acid HMDB00220 C00249 Fatty acid elongation; Biosynthesis of unsaturated fatty acids; Fatty acid biosynthesis; Fatty acid degradation; Cutin, suberine and wax biosynthesis Lipid metabolism Pelargonic acid HMDB00847 Petroselinic acid HMDB02080 Pyroglutamic acid HMDB00267 C01879 Glutathione metabolism Metabolism of other amino acids Pyruvic acid HMDB00243 C00022 Ascorbate and aldarate metabolism; Phosphonate and phosphinate metabolism; Glycine, serine and threonine metabolism; Glycolysis / Gluconeogenesis; Methane metabolism; Taurine and hypotaurine metabolism; Citrate cycle (TCA cycle); C5-Branched dibasic acid metabolism; Benzoate degradation; Arginine and proline metabolism; Valine, leucine and isoleucine biosynthesis; Butanoate metabolism; Cysteine and methionine metabolism; Pyruvate metabolism; Alanine, aspartate and glutamate metabolism; Carbon fixation pathways in prokaryotes; Carbon fixation in photosynthetic organisms; Pantothenate and CoA biosynthesis; Pentose phosphate pathway; Phenylalanine metabolism; Dioxin degradation; D-Alanine metabolism; Monobactam biosynthesis; Tyrosine metabolism; Terpenoid backbone biosynthesis; Glyoxylate and dicarboxylate metabolism; Xylene degradation; Thiamine metabolism Carbohydrate metabolism; Metabolism of other amino acids; Amino acid metabolism; Energy metabolism; Xenobiotics biodegradation and metabolism; Metabolism of cofactors and vitamins; Biosynthesis of other secondary metabolites; Metabolism of terpenoids and polyketides Ribitol HMDB00508 C00474 Pentose and glucuronate interconversions Carbohydrate metabolism Ribonolactone HMDB01900 Sorbitol HMDB00247 C00794 Fructose and mannose metabolism; Galactose metabolism Carbohydrate metabolism Stearic acid HMDB00827 C01530 Biosynthesis of unsaturated fatty acids; Fatty acid biosynthesis Lipid metabolism Taurine HMDB00251 C00245 Primary bile acid biosynthesis; Taurine and hypotaurine metabolism; Sulfur metabolism Lipid metabolism; Metabolism of other amino acids; Energy metabolism Uracil HMDB00300 C00106 Pyrimidine metabolism; Pantothenate and CoA biosynthesis; beta-Alanine metabolism Nucleotide metabolism; Metabolism of cofactors and vitamins; Metabolism of other amino acids Urea HMDB00294 C00086 Arginine and proline metabolism; Atrazine degradation; Arginine biosynthesis; Purine metabolism Amino acid metabolism; Xenobiotics biodegradation and metabolism; Nucleotide metabolism Uric acid HMDB00289 C00366 Purine metabolism Nucleotide metabolism C10 C10:1 C10:2 C12 C12-DC C12:1 C14 C14:1 C14:1-OH C14:2 C14:2-OH C16 C16-OH C16:1 C16:1-OH C16:2 C16:2-OH C18 C18:1 C18:1-OH C18:2 C2 C3 C5-OH (C3-DC-M) C3-OH C3:1 C4 C3-DC (C4-OH) C4:1 C5 C5-DC (C6-OH) C5-M-DC C5:1 C5:1-DC C6 (C4:1-DC) C6:1 C7-DC C8 C9 lysoPC a C14:0 lysoPC a C16:0 lysoPC a C16:1 lysoPC a C17:0 lysoPC a C18:0 lysoPC a C18:1 lysoPC a C18:2 lysoPC a C20:3 lysoPC a C20:4 lysoPC a C24:0 lysoPC a C26:0 lysoPC a C26:1 lysoPC a C28:0 lysoPC a C28:1 PC aa C24:0 PC aa C26:0 PC aa C28:1 PC aa C30:0 PC aa C32:0 PC aa C32:1 PC aa C32:3 PC aa C34:1 PC aa C34:2 PC aa C34:3 PC aa C34:4 PC aa C36:0 PC aa C36:1 PC aa C36:2 PC aa C36:3 PC aa C36:4 PC aa C36:5 PC aa C36:6 PC aa C38:0 PC aa C38:3 PC aa C38:4 PC aa C38:5 PC aa C38:6 PC aa C40:1 PC aa C40:2 PC aa C40:3 PC aa C40:4 PC aa C40:5 PC aa C40:6 PC aa C42:0 PC aa C42:1 PC aa C42:2 PC aa C42:4 PC aa C42:5 PC aa C42:6 PC ae C30:0 PC ae C30:1 PC ae C30:2 PC ae C32:1 PC ae C32:2 PC ae C34:0 PC ae C34:1 PC ae C34:2 PC ae C34:3 PC ae C36:0 PC ae C36:1 PC ae C36:2 PC ae C36:3 PC ae C36:4 PC ae C36:5 PC ae C38:0 PC ae C38:1 PC ae C38:2 PC ae C38:3 PC ae C38:4 PC ae C38:5 PC ae C38:6 PC ae C40:1 PC ae C40:2 PC ae C40:3 PC ae C40:4 PC ae C40:5 PC ae C40:6 PC ae C42:0 PC ae C42:1 PC ae C42:2 PC ae C42:3 PC ae C42:4 PC ae C42:5 PC ae C44:3 PC ae C44:4 PC ae C44:5 PC ae C44:6 SM (OH) C14:1 SM (OH) C16:1 SM (OH) C22:1 SM (OH) C22:2 SM (OH) C24:1 SM C16:0 SM C16:1 SM C18:0 SM C18:1 SM C20:2 SM C24:0 SM C24:1 SM C26:0 SM C26:1 METABOLITES_END #END