Metabolite_name RefMet_name 90245015206 90248015206 90252015206 90265015206 90266015206 90217015206 90229015206 90232015206 90237015206 90239015206 CS00000PB-01 CS00000PB-02 CS00000PB-03 CS00000PB-04 CS00000SB-02 CS00000SB-03 CS00000SB-04 CS00000SB-05 CS00000MP-01 CS00000MP-02 CS00000MP-03 CS00000MP-04 CS00000MP-05 CS00000MP-06 CS00000MP-07 CS00000MP-08 CS00000MP-09 CS0000OP0-01 CS0000OP0-02 CS0000OP0-03 CS0000OP0-04 CS0000OP0-05 CS0000OP0-06 CS0000OP0-07 CS000QCMP-01 CS000QCMP-02 CS000QCMP-03 CS000QCMP-04 CS0UMRA01-01 CS0UMRA01-02 CS0UMRA01-03 CS0UMRA01-04 CSMR80012-01 CSMR80012-02 CSMR80012-03 CSMR80012-04 CSMR80013-01 CSMR80013-02 CSMR80013-03 CSMR80013-04 90559015206 90560015206 90564015206 90567015206 90571015206 90421015206 90422015206 90423015206 90426015206 90430015206 90576015206 90578015206 90581015206 90585015206 90587015206 90439015206 90441015206 90444015206 90449015206 90450015206 90410015206 90412015206 90416015206 90420015206 90280015206 90281015206 90283015206 90289015206 90292015206 90251015206 90254015206 90258015206 90259015206 90267015206 90218015206 90222015206 90223015206 90225015206 90227015206 Factors - Group:Control | Timepoint:8 weeks of training or control time | Sex:Female Group:Control | Timepoint:8 weeks of training or control time | Sex:Female Group:Control | Timepoint:8 weeks of training or control time | Sex:Female Group:Control | Timepoint:8 weeks of training or control time | Sex:Female Group:Control | Timepoint:8 weeks of training or control time | Sex:Female Group:Control | Timepoint:8 weeks of training or control time | Sex:Male Group:Control | Timepoint:8 weeks of training or control time | Sex:Male Group:Control | Timepoint:8 weeks of training or control time | Sex:Male Group:Control | Timepoint:8 weeks of training or control time | Sex:Male Group:Control | Timepoint:8 weeks of training or control time | Sex:Male Group:QC-Blank | Timepoint:0 hour | Sex:- Group:QC-Blank | Timepoint:0 hour | Sex:- Group:QC-Blank | Timepoint:0 hour | Sex:- Group:QC-Blank | Timepoint:0 hour | Sex:- Group:QC-Blank | Timepoint:0 hour | Sex:- Group:QC-Blank | Timepoint:0 hour | Sex:- Group:QC-Blank | Timepoint:0 hour | Sex:- Group:QC-Blank | Timepoint:0 hour | Sex:- Group:QC-DriftCorrection | Timepoint:0 hour | Sex:- Group:QC-DriftCorrection | Timepoint:0 hour | Sex:- Group:QC-DriftCorrection | Timepoint:0 hour | Sex:- Group:QC-DriftCorrection | Timepoint:0 hour | Sex:- Group:QC-DriftCorrection | Timepoint:0 hour | Sex:- Group:QC-DriftCorrection | Timepoint:0 hour | Sex:- Group:QC-DriftCorrection | Timepoint:0 hour | Sex:- Group:QC-DriftCorrection | Timepoint:0 hour | Sex:- Group:QC-DriftCorrection | Timepoint:0 hour | Sex:- Group:QC-Pooled | Timepoint:0 hour | Sex:- Group:QC-Pooled | Timepoint:0 hour | Sex:- Group:QC-Pooled | Timepoint:0 hour | Sex:- Group:QC-Pooled | Timepoint:0 hour | Sex:- Group:QC-Pooled | Timepoint:0 hour | Sex:- Group:QC-Pooled | Timepoint:0 hour | Sex:- Group:QC-Pooled | Timepoint:0 hour | Sex:- Group:QC-Pooled | Timepoint:0 hour | Sex:- Group:QC-Pooled | Timepoint:0 hour | Sex:- Group:QC-Pooled | Timepoint:0 hour | Sex:- Group:QC-Pooled | Timepoint:0 hour | Sex:- Group:QC-ReCAS | Timepoint:0 hour | Sex:- Group:QC-ReCAS | Timepoint:0 hour | Sex:- Group:QC-ReCAS | Timepoint:0 hour | Sex:- Group:QC-ReCAS | Timepoint:0 hour | Sex:- Group:QC-Reference | Timepoint:0 hour | Sex:- Group:QC-Reference | Timepoint:0 hour | Sex:- Group:QC-Reference | Timepoint:0 hour | Sex:- Group:QC-Reference | Timepoint:0 hour | Sex:- Group:QC-Reference | Timepoint:0 hour | Sex:- Group:QC-Reference | Timepoint:0 hour | Sex:- Group:QC-Reference | Timepoint:0 hour | Sex:- Group:QC-Reference | Timepoint:0 hour | Sex:- Group:Training | Timepoint:1 week of training or control time | Sex:Female Group:Training | Timepoint:1 week of training or control time | Sex:Female Group:Training | Timepoint:1 week of training or control time | Sex:Female Group:Training | Timepoint:1 week of training or control time | Sex:Female Group:Training | Timepoint:1 week of training or control time | Sex:Female Group:Training | Timepoint:1 week of training or control time | Sex:Male Group:Training | Timepoint:1 week of training or control time | Sex:Male Group:Training | Timepoint:1 week of training or control time | Sex:Male Group:Training | Timepoint:1 week of training or control time | Sex:Male Group:Training | Timepoint:1 week of training or control time | Sex:Male Group:Training | Timepoint:2 weeks of training | Sex:Female Group:Training | Timepoint:2 weeks of training | Sex:Female Group:Training | Timepoint:2 weeks of training | Sex:Female Group:Training | Timepoint:2 weeks of training | Sex:Female Group:Training | Timepoint:2 weeks of training | Sex:Female Group:Training | Timepoint:2 weeks of training | Sex:Male Group:Training | Timepoint:2 weeks of training | Sex:Male Group:Training | Timepoint:2 weeks of training | Sex:Male Group:Training | Timepoint:2 weeks of training | Sex:Male Group:Training | Timepoint:2 weeks of training | Sex:Male Group:Training | Timepoint:4 weeks of training | Sex:Female Group:Training | Timepoint:4 weeks of training | Sex:Female Group:Training | Timepoint:4 weeks of training | Sex:Female Group:Training | Timepoint:4 weeks of training | Sex:Female Group:Training | Timepoint:4 weeks of training | Sex:Male Group:Training | Timepoint:4 weeks of training | Sex:Male Group:Training | Timepoint:4 weeks of training | Sex:Male Group:Training | Timepoint:4 weeks of training | Sex:Male Group:Training | Timepoint:4 weeks of training | Sex:Male Group:Training | Timepoint:8 weeks of training or control time | Sex:Female Group:Training | Timepoint:8 weeks of training or control time | Sex:Female Group:Training | Timepoint:8 weeks of training or control time | Sex:Female Group:Training | Timepoint:8 weeks of training or control time | Sex:Female Group:Training | Timepoint:8 weeks of training or control time | Sex:Female Group:Training | Timepoint:8 weeks of training or control time | Sex:Male Group:Training | Timepoint:8 weeks of training or control time | Sex:Male Group:Training | Timepoint:8 weeks of training or control time | Sex:Male Group:Training | Timepoint:8 weeks of training or control time | Sex:Male Group:Training | Timepoint:8 weeks of training or control time | Sex:Male 2-hydroxybutyrate 2-Hydroxybutyric acid 24114.6505 13908.9206 26559.5277 18393.0357 14171.4759 48651.2973 21651.7043 19688.4489 14258.6294 20469.7698 18585.9079 21249.8369 18144.0331 19918.6854 20623.5777 19143.6050 18380.7533 18341.4530 22647.5251 8279.2888 9093.6440 9354.4938 10091.5728 10477.4151 11311.6168 9680.3183 18589.2056 22807.0311 17311.9338 23167.7500 9241.5069 10124.8907 9381.3711 9404.5287 35421.1643 37751.5004 39032.8755 37935.2757 49575.2420 49527.9081 51390.7548 47355.1193 23239.1894 17106.5126 18503.5363 12547.8084 18150.9223 20412.0420 21152.3885 14735.5347 10880.9977 10955.4771 31889.2999 18874.5164 25567.7744 27655.4307 19343.6260 14945.9703 18433.7619 13201.0359 18552.8912 12108.5375 20563.7512 10324.2821 12937.2348 11741.3402 9107.1799 12094.0784 19290.1792 14894.6670 14116.2956 26852.7253 19648.5316 10888.5933 11416.1576 13885.3555 19509.9043 15582.4911 13848.7595 18567.7570 13843.6228 3-hydroxybutyrate 3-Hydroxybutyric acid 73491.7144 48799.3713 61114.8095 25794.4268 44078.0940 25381.2274 28417.2204 23590.2605 20570.2396 23373.6310 37296.8094 40478.0214 39275.9519 35414.7729 37980.6668 38299.0200 37641.5504 35842.7851 38559.9303 20837.7981 18247.3813 18297.3611 18932.2453 19722.0168 18408.6872 19470.0027 37565.5216 37950.0298 36717.7648 38691.5638 10535.1659 10218.0161 12193.4219 10354.5173 18354.3204 16700.4500 18083.1991 17248.7209 14104.2383 12375.6018 13882.9105 12642.2620 68036.3323 39896.7213 58868.8143 49722.1609 44435.7580 26387.2561 23287.4557 20693.4213 24725.6094 24656.8468 74285.2884 56109.0686 60965.0080 55095.8992 59964.9796 25737.7285 18853.0304 31543.5503 23433.5048 23922.0676 47301.6349 24069.8144 36426.7301 35107.7995 25274.8899 22462.0209 26331.8000 27282.4343 24274.1770 57472.7410 50365.2716 32516.5989 22290.5452 26603.7596 28284.9146 26349.3838 22736.3025 22537.2874 20071.5725 alpha-muricholate alpha-Muricholic acid 143852.5907 1963.6751 3713.3660 15194.1592 14217.5398 5652.0932 11997.0069 3720.4329 2098.3473 2340.1595 110021.8377 112841.0230 110295.0688 111548.2512 116034.2928 109662.4970 112897.8286 116154.8242 112552.5675 51992.0234 53394.7152 51194.9387 53991.6195 55440.6992 56030.3987 53687.2399 111718.5296 111715.8798 112394.1263 114282.6683 1629792.9007 1642416.7243 1635862.0022 1629802.4912 322874.9750 313696.7359 303908.3894 304598.8362 598045.0619 595429.5029 591139.1721 596387.5836 2584.5698 1743.8777 282528.9143 112056.9835 125122.4255 2501.4692 3265.0515 2119.8799 6134.8838 1136.4475 2545.9415 20831.0822 256520.5757 6659.6610 18227.2611 2380.0655 2158.4918 74418.7499 16515.9778 8218.1105 7844.2751 8298.8916 18557.4111 3319.6226 2297.9860 1593.0089 1643.2970 2242.1531 1837.4591 4547.0796 3920.4889 2173.4393 2736.3663 21359.1299 2701.4861 13520.7341 1977.3188 2352.3033 7663.9642 AMP AMP 57717735.7806 61228135.8724 49355250.7927 59530212.6739 60608950.2090 55711985.9548 59122848.8459 60427915.0763 56533783.8182 56977726.9418 54605371.4365 55821002.8389 55972040.0793 56078943.7389 57003040.7794 56592695.1394 56165170.8051 56164456.3680 57045658.6440 55276377.6608 55782523.6949 55444971.5022 56139845.9465 56815366.5287 56142488.0169 55715523.6694 55842309.1240 56488074.8172 56603505.2429 56650181.6757 5215900.5385 5199260.8818 5617833.4336 5518225.9992 7432362.1731 7515900.9817 7990751.0124 8063757.5650 3972651.3832 4013892.2936 4303866.2375 4304438.6394 54945013.7192 65593180.6810 61830682.4715 62596874.6297 60370309.6174 58483550.0348 58557765.2732 60556238.2649 60138975.8780 59921973.7420 58171576.2345 61245979.2465 61163897.7030 61497917.6369 62406960.3862 57509847.6655 59270752.0477 59643276.9165 61264418.8395 62323798.3974 59659903.6378 61377204.9165 58351421.1928 63804098.6449 59861428.1298 60823396.2371 57641660.6347 59334775.4150 61414850.7153 57901890.4213 62361061.8320 59170093.4280 61453620.0180 57062124.5016 55764314.9378 57890238.3017 55038239.5532 58664776.2177 56714891.8102 aspartate Aspartic acid 100662.8139 129451.8368 122099.1036 125655.1617 122959.2705 129055.2181 108645.9135 111782.6610 116077.5363 116488.5860 117361.5982 110293.1428 119491.6676 111062.8517 112975.6694 117005.4323 113875.0523 108749.7166 108808.6487 101916.7684 114528.5474 105314.2190 105729.5030 113196.8346 110622.1300 106732.4814 121985.9806 109731.4121 112938.0448 107900.8742 45225.9576 44290.6620 46141.7549 46491.3108 26141.2350 26864.6981 25414.9497 24419.0276 69802.3704 73598.8498 71798.1740 76425.0044 130616.7026 113822.6796 125371.5909 145631.4158 135990.0127 115237.6513 117044.1132 116911.2438 126296.8844 106435.2116 124654.3997 142392.9373 131283.5888 125740.0422 114296.9704 121014.7203 107047.6892 120071.6127 126729.7921 128421.6898 117305.7236 147692.5347 127137.5122 118878.3115 125000.3306 122633.3708 115617.9784 116373.3632 130449.3583 108029.4063 121734.3869 111387.3607 107403.2712 128491.9723 126228.5413 116851.9109 120284.9361 109469.7572 133711.2280 beta-muricholate beta-Muricholic acid 143610.0579 1491.8800 3497.4060 14711.9358 13436.8689 5462.0644 11757.9221 3188.0549 1789.5447 1838.1011 109649.9287 112102.6001 109189.8428 110933.4458 115443.0141 109170.6301 112296.1124 115445.0579 111854.9081 51240.8422 53133.6429 50528.1858 53393.0617 55207.9439 55199.3288 53269.9279 110913.6762 110961.8207 108076.7945 113583.7794 1626080.7596 1638429.9925 1634095.0099 1628322.0930 321787.3640 312500.2042 302830.2165 303986.4875 596846.1220 593922.0816 589550.7486 594927.2540 2166.9564 1562.0020 281962.7369 111989.3795 124479.8642 2277.8029 3265.0515 1390.1368 5569.0539 941.5859 2360.7917 20690.2642 256074.3142 6402.9875 18227.2611 2126.6093 1903.7020 73805.5198 16456.3898 7770.0891 7593.5935 7978.1733 18250.3984 3259.3699 2068.8031 1369.7261 1303.8599 2101.3653 1442.7644 4195.5004 3399.0003 1899.3021 2209.1024 21069.0786 2210.7084 13223.1367 1770.9228 1821.4196 7284.4082 cholate Cholic acid 143544.2660 1491.8800 3497.4060 14549.9647 13436.8689 5403.0267 11757.9221 3101.0861 1789.5447 1838.1011 105811.4118 109882.8860 105772.3522 108756.4253 113081.4833 107235.3864 108787.3883 111730.3546 110151.4601 49801.1395 51328.6686 47289.9562 50808.5279 52371.7683 51690.8561 51537.2171 108079.0030 107300.7947 108158.1825 111374.8707 1621729.0133 1638006.3321 1630191.1036 1625319.1327 318245.4525 309616.7195 298379.5696 301741.1306 598664.7879 590152.3265 588491.6562 592496.6590 2077.5046 1562.0020 281887.0941 111989.3795 124403.1698 2371.5425 3265.0515 1390.1368 5569.0539 941.5859 2280.4026 20608.9472 255955.6416 6402.9875 18227.2611 2126.6093 1903.7020 73938.8710 16456.3898 7639.5428 7593.5935 7910.4430 18250.3984 3259.3699 2125.6112 1369.7261 1303.8599 1959.3089 1442.7644 4195.5004 3399.0003 1899.3021 2209.1024 21069.0786 2144.1195 13165.0102 1770.9228 1821.4196 7124.4403 cis-aconitate cis-Aconitic acid 8633.8547 8873.4498 8352.1338 7693.3386 9096.0498 9292.0473 8580.7514 8524.7854 7611.8337 10490.6063 8873.3471 9095.8805 8090.1917 8876.4782 8690.3379 7946.8365 8676.6124 8340.8349 8665.8326 3257.5347 3187.3558 3424.3966 3165.8144 1974.3941 2804.5618 2983.5238 8302.7065 8338.2261 8991.7877 9341.5982 6606.0171 5423.6063 6004.7755 6734.6111 10607.8984 9365.1404 8479.4664 10292.5500 6251.2478 4716.3643 4739.5699 5150.7603 9436.8294 9953.2177 8827.7084 10368.2970 8404.8734 9427.1055 8390.1999 9872.3975 8803.3024 8448.2659 9025.2616 9727.6160 9925.8163 11041.8801 10898.8916 8656.3461 10579.2150 7330.8785 7822.0176 8237.0114 7516.2856 8164.8747 9938.4877 7764.1089 8223.8057 8487.0911 8501.9692 8435.3512 8845.2633 9883.8174 9837.3462 7263.7376 9624.8467 8063.5864 9354.1745 8712.7514 8421.4512 8991.1405 7435.1504 citrate Citric acid 950870.4526 948190.8026 814981.4583 880836.9815 999818.7672 616711.9288 859270.1340 927326.0953 830489.4593 877350.0871 965494.0824 920113.1582 937640.4115 1003840.3657 950029.9055 939111.3922 1011837.4279 1006591.0877 979213.1877 313557.6394 305026.4549 313823.2127 304010.5983 315511.7997 320562.7293 326256.6988 923889.3935 979666.8292 1011064.6624 1024180.1829 290681.6604 293283.7966 320753.2311 314276.7596 351817.7162 340100.2355 371320.8485 364927.9964 171619.6736 164460.5530 173570.2209 177846.9973 843219.0144 1158732.3002 1164085.9087 1054063.5101 1071164.1916 819513.8097 806988.0143 922713.6184 817762.3475 887744.4842 842956.0299 1038662.9459 1014503.6122 1063753.4282 1137962.9375 873748.4291 958853.6215 889862.9007 919475.7000 940814.6092 801151.2981 921004.3267 866843.6501 891413.1134 919808.7541 934492.5963 883699.0202 867202.2704 837717.2434 842452.7174 956699.8461 855896.5927 887294.0337 856078.0315 724197.6273 745710.1284 833962.3743 905949.6414 770433.0945 FA(10:0-COOH) Sebacic acid 5755.6182 4671.2585 6086.4991 6130.6495 4432.0928 14703.7228 7220.9066 6491.1318 5627.4121 6190.6058 4609.7913 5422.0117 4476.9854 3835.4405 4543.4938 4558.5508 4874.1978 3290.8572 12562.9007 12611.2320 13178.7484 12791.3312 10871.6312 13220.7871 12161.3938 14056.5334 13799.8163 6130.3885 6267.2544 6256.5042 5463.6885 7074.6153 6975.0039 6072.2500 11246.8693 11787.4331 14363.7445 9379.7600 5104.8696 4549.7468 5850.4050 4960.1482 5988.2091 6635.0435 6688.9884 6162.4027 4482.6152 4873.1279 5532.1325 5021.6910 7230.1736 5785.2578 6634.2180 5890.0940 5758.9922 6886.1029 8129.8703 6654.2508 6008.6202 4254.1298 5807.0678 8272.3358 7509.5485 12451.4295 4906.4519 6838.2472 5135.8214 4784.0621 5585.6327 5068.1380 6025.0731 5085.3881 5379.8214 7504.1563 4741.7049 5619.2345 6048.5768 4611.7732 5411.9168 7673.8351 6214.9799 4433.0242 4600.4156 6515.4407 9640.4524 5879.5493 6395.6651 6304.5569 9193.4031 FA(10:0-OH) Hydroxydecanoic acid 7127.6622 5242.7339 7025.3953 6411.3300 5001.4979 7651.3436 6205.3185 7261.8000 8369.7720 5941.3423 3626.4018 4395.2415 4168.8437 3334.9990 21686.1121 20997.6084 19221.4597 19943.3266 21057.3513 20838.2738 21298.3118 21814.8328 20504.9140 17331.8935 14899.2342 16823.8804 16489.4400 18353.9727 18856.5595 17122.3455 21390.5217 20759.9537 21452.8135 21555.3431 10702.0655 10894.5980 10188.3900 11879.1670 4468.5119 4545.6832 3704.3364 3731.4419 5022.3076 5213.8994 4245.9652 4819.1329 5471.6140 4267.1761 8204.1954 4381.2759 5227.7416 5293.7094 7798.6007 5067.8310 5321.5337 3765.8689 6637.1902 7204.1408 6362.6112 6245.9947 4734.5299 6480.0281 6171.6919 5815.0527 5176.8087 5155.7700 5358.5272 5169.5229 5450.5626 6165.2844 5740.9528 5039.0096 5040.2466 4583.5229 5403.3705 8230.0692 5494.3409 6532.2416 5678.7628 4413.6528 6383.1601 7506.3102 5318.0576 9358.8540 8310.5985 FA(11:0-COOH) Dodecanedioic acid 7182.1833 6783.5545 8619.1616 11121.1177 6172.9309 29487.5923 6546.6030 7954.1271 8656.0247 11567.2198 7716.6313 8567.3561 7106.5859 7442.3227 6808.3200 7644.7396 6543.3518 5132.8942 30872.4627 27929.5987 27398.4525 29927.9893 28970.0807 31106.3039 30823.5428 35090.8118 30184.7478 25204.3763 24816.7503 22529.8296 25855.0128 25279.9813 26599.0593 25646.3862 27749.1152 30140.1713 30474.9569 32172.9387 10273.0842 11428.3569 10798.4742 10510.5088 11103.4113 11582.0091 9990.1505 9745.8673 10386.4711 9821.5321 10210.0761 8775.3574 6458.1120 8553.4588 8998.0067 8562.8140 5636.5027 14261.2057 13195.0688 8053.4152 7445.8437 6147.7817 4370.7586 12782.0281 8855.9005 15307.1223 7203.4047 7141.3183 25010.5140 5594.5751 8793.1681 6381.6334 6911.3912 7198.2347 5584.0306 6579.7210 6324.6999 7581.0699 8024.8146 4365.1893 5910.1028 7492.8351 4888.8843 6430.7498 6540.9801 5228.0095 16580.2773 6377.5853 6704.9234 7789.5439 11242.2456 FA(12:0) Lauric acid 29089.2601 17483.6926 60873.6632 372252.3687 24696.0649 364409.7220 25569.5004 23815.3217 23674.9199 233658.7281 18543.5327 20669.3211 20131.3543 20337.2504 13925.4789 14358.8021 13758.8316 16301.2140 248727.2767 264263.9297 264483.3696 272684.3779 278672.0338 285843.7214 288236.3529 292619.2540 297929.5819 73752.7915 75392.0095 74231.6368 79160.5200 76677.7155 83285.2801 76499.6199 261303.5858 279028.7532 282599.2210 292239.2188 139730.5021 138022.5022 160240.6934 157869.5071 143491.8498 130305.3510 140599.9530 147009.9680 42691.3316 41472.8094 44797.0214 48776.0143 32743.9929 29772.0031 24764.1138 228452.4350 21090.8277 27499.7601 22520.3396 24513.0849 187069.7605 23134.6021 21404.4739 1341464.0307 23140.3156 21079.5065 19025.4299 20811.6240 18668.3031 19905.9679 113246.7425 19036.7154 24756.8680 245388.3044 23310.9177 73421.5594 23823.9226 29503.0109 29814.4470 22564.5040 21108.6564 27436.7421 24800.3906 23940.7352 24495.1118 19899.3654 19808.4343 21911.9929 22366.8012 20825.9058 388285.3038 FA(12:0-OH) Hydroxydodecanoic acid 5617.2429 5162.1987 5111.6593 8875.5687 3924.1911 8780.4179 4510.0689 6081.7918 4579.4847 7972.7113 2972.2662 3338.3865 3656.5761 1747.6793 13222.4177 14517.0189 14440.5574 15345.2824 14073.7454 13819.0166 14138.8123 14247.8818 14634.3991 3607.1348 3162.2363 3504.5425 4262.2930 3757.0197 3693.0207 3621.6875 13568.8655 14930.1357 12342.0818 11186.4372 6308.2109 5703.7572 6142.5796 7281.8319 5704.4549 4497.2140 4792.6477 4516.9239 5210.7880 4875.6735 5340.1036 4454.6855 4726.5943 3079.2346 4849.9280 6889.8967 5307.9159 6193.0172 5279.8496 4855.7275 7014.1293 4818.3753 4698.1267 13449.6798 6157.6545 5492.0060 3804.7045 5631.2058 4209.3434 3821.9402 6073.2004 3892.2129 4793.2680 7048.0503 5310.0209 5100.0814 3720.9870 4578.5697 4690.2839 3451.3936 3916.7054 4882.4641 4031.2997 5159.8978 5001.8146 5269.2407 5676.3764 4736.0604 4648.7643 5312.1639 10124.2276 FA(14:0) Myristic acid 540962.9095 286016.4663 470748.9729 1583547.5841 347403.9542 1748203.1631 406364.1950 382865.8550 318425.9822 1129550.5997 43245.8698 43552.5618 57790.9633 57528.8607 23136.0824 23582.0938 28912.5848 27296.5183 1263303.3501 1576145.8814 1578361.4403 1622405.3896 1654067.5576 1686571.5788 1692828.9053 1726972.3290 1828515.0910 1124416.1784 1120788.8851 9599.2122 5598.7588 1211588.2381 1230527.8870 1220709.1096 1529625.9505 1700433.6768 1673919.9469 1681256.5950 4412813.4699 4435770.5484 4905257.9242 5010603.1548 2903252.0472 2796733.1373 3165611.9503 3126755.7824 1320109.5361 1330391.1836 1478051.3105 1477390.4508 751408.8340 679971.0855 336371.3920 955886.5564 411898.4451 442368.0579 434806.6237 434310.3979 686599.9911 346375.1732 358630.2256 2441680.6195 365301.5998 328268.8588 313158.6216 294423.0090 320656.5604 345748.2991 609631.7620 318115.9694 457390.1969 966517.5642 296649.4251 2401634.5353 316782.8159 467647.4385 683204.4369 278314.2786 309411.3400 430917.2856 384499.6654 364635.8955 373445.0405 279468.9574 306175.1433 377835.3699 320171.7705 450794.3019 1553547.6795 FA(14:0-OH) Hydroxytetradecanoic acid 25808.3875 24700.5195 32281.5832 33701.5172 24366.7630 42279.6605 26684.7980 26369.1695 22908.5917 28065.8083 4129.8971 5051.4743 5967.4282 5814.6184 5590.0007 5442.1436 8181.8832 5383.8275 34201.8007 36726.0198 33786.8361 33981.3364 36412.3370 35766.9430 37645.0274 34360.5519 32378.6193 37157.9311 33046.4898 37014.2295 38734.5494 37452.9204 38233.4052 41494.1538 38907.3475 34904.4613 38863.2527 35599.2982 15457.8767 16105.7818 15533.4498 16422.9717 83664.0157 83476.1587 79959.6665 80100.1709 19273.4265 19678.2813 17291.8917 22425.3683 35861.2973 18650.8365 24860.1533 21164.6192 29296.3210 24196.6147 27272.3689 26806.1339 25626.8600 21689.3557 35056.8512 27926.0796 26880.0823 34955.7761 27212.5869 21061.9204 23009.7592 26320.9505 33106.9752 20703.4114 31740.5524 25557.8498 22339.6645 29026.9994 24283.9510 21542.0101 23589.7271 23586.3561 23557.3263 32134.0229 25715.4026 22906.9828 21590.3667 29411.9650 27667.3102 22421.3568 21974.7045 27337.3048 28146.7312 FA(14:1) Tetradecenoic acid 82286.2544 23983.0749 35217.5158 38905.6011 27281.8744 46553.0362 30974.2944 34105.5827 21360.9789 40944.9482 4455.5715 5018.7710 4939.1953 4704.5481 6682.7175 5007.0025 6952.9238 5908.9999 72728.0501 82098.5914 84290.3190 87116.6544 82306.0466 86571.8457 85843.0201 84641.5692 88229.9931 75583.0157 79170.7099 82740.6461 83869.8266 86897.6941 88015.5809 83263.4979 79762.1694 80313.6428 79048.4178 86770.7772 673496.4705 676688.4988 775453.0604 774912.6482 185427.7933 180327.1395 197660.3262 193807.2856 79360.0870 80282.0008 90700.0137 89550.4220 118616.9261 91735.7245 30053.1292 27190.4396 31543.0410 55558.1083 34237.8898 38322.4179 23394.5948 33785.4286 30834.3059 46302.8899 33220.1711 31802.4506 24870.5987 20143.8339 26477.8089 25848.9377 30442.4334 19779.1109 33847.1557 26530.1531 26863.6156 793318.4818 25470.9687 35284.8654 95539.8349 25886.0448 27530.8828 41207.7666 32516.3632 28515.8039 29880.2224 23091.4147 21244.9878 24046.7310 23162.1058 35855.6240 31790.2675 FA(14:2) Tetradecadienoic acid 8305.3895 6211.5029 9545.9191 11713.5593 6360.9084 16605.3880 8428.0043 7494.9208 6454.5490 9660.5692 10697.4111 11222.7014 9080.5601 11452.4082 10253.3596 10053.0567 12003.1421 9040.5065 9996.0552 8588.1793 6666.3809 8880.6971 8553.6418 7420.0390 8051.5283 10613.4954 11487.5117 9905.3719 12149.0063 12318.3169 18040.0992 16369.3570 18952.0093 20366.4478 42474.6684 36339.0572 41418.0009 42189.7397 20795.9118 19868.6823 22326.4057 22707.2053 6935.7457 8631.9212 8511.8982 7115.5200 6067.0115 5462.2818 6970.8209 6790.6379 6033.3769 6286.7016 6851.4432 11885.9052 7727.0983 7474.0243 5254.2014 7515.5214 6101.6890 7169.9268 7567.3083 6017.3843 7156.6394 6406.7461 6361.3415 9253.9626 5994.5855 6412.6162 5834.6044 6374.7690 4820.0473 7451.5596 5540.9091 4850.7063 5149.8479 5200.3287 5284.5975 6336.4117 7201.4074 6299.8634 9018.7364 FA(15:0) Pentadecylic acid 323676.8477 59643.0497 103474.3923 168784.9897 119720.7643 135093.1692 108703.1564 124532.1840 96687.0435 201267.1933 34207.7871 34849.1900 45035.6075 43959.9913 17183.7842 21199.2906 24321.7140 22570.0055 308651.4859 414761.0614 424194.5412 419356.4363 434973.2674 426368.5576 445280.5556 448230.2412 479914.1020 276456.7506 269651.5049 268331.5822 288556.7608 288144.1104 292176.1216 295069.4461 408798.8817 431022.1692 435991.2768 434805.6491 791946.0574 782883.3771 849113.2389 866964.3118 965571.0432 938093.2905 1009306.4169 1029945.4854 515049.6976 516834.9590 566745.4732 567841.3004 528014.3088 579514.6117 122274.1268 186272.0781 154132.3739 244788.5393 153755.2631 175703.3665 86497.6282 151212.4653 54112.2984 227900.8174 77865.2770 74929.5063 67639.7434 84218.8738 77926.8431 91028.0138 91644.9534 72918.2005 146989.6118 78502.4855 72086.9667 2469374.2500 67643.9790 216030.1103 573535.4081 60421.2078 140226.4384 121214.5424 118458.9544 124458.0069 133368.8424 54935.3378 51071.8000 83409.6714 68862.5545 120906.4860 157878.4531 FA(16:0) Palmitic acid 10690229.0355 8558197.4171 9667584.7086 10896799.8931 9565173.2853 14014646.9565 9760130.8382 9948282.7952 10182715.3390 11515323.9362 856912.5271 857364.5541 1338324.7970 1182821.1890 704184.2558 728296.3678 996461.6637 1009361.8190 10081589.0427 13729312.1776 13913197.8019 14106234.0891 14866604.9858 14509280.1273 14927416.6927 15011259.0473 16012635.5013 12566340.8141 12755754.6433 12921509.1809 13675193.0966 13526308.2126 14160782.6153 13723371.4388 13733933.9892 14324881.6479 14798561.8335 14861853.5998 24160676.8509 23769801.2412 24970036.1721 25003304.5362 25696767.8144 24573132.4015 24771732.3153 25232183.3134 14614998.7971 14555247.7422 15695860.2505 15792264.6134 12312381.6198 10537233.7970 10426952.4838 10380381.8422 10559560.3443 9710273.0497 11456236.4777 10428238.0033 10607305.3725 9018802.5956 10538694.6744 9892173.1869 10844302.2870 9975750.5578 9241044.4323 9980441.9655 9803164.1612 11296053.4683 10948008.3831 10315596.4414 10792294.2460 10632547.9175 10132837.2278 11901153.1474 9787400.0040 10201974.1536 10694954.8268 10054752.4240 9587687.2043 10119560.6603 9380662.2929 9811484.3919 9470432.4145 9677133.6796 9958060.4166 10462206.3389 10034453.3875 10366190.3889 12029496.5922 FA(16:0-COOH) Heptadecanedioic acid 20570.7720 15721.8584 22691.9335 19132.4035 18443.6647 23189.6743 16779.8786 14058.9461 18171.5834 25535.5802 6821.7446 6976.0813 6854.0891 7827.3563 6591.3569 6581.3387 9199.4265 6845.8463 33000.7692 33908.5727 31094.2334 32492.3810 39672.0364 30660.2408 31142.0356 29219.8734 46096.8848 13766.9492 12501.8467 13783.8541 15342.0216 14308.0685 13911.5026 13171.6073 27847.9328 30092.4517 32566.0601 36070.0921 34055.5522 33671.3759 38683.4945 35045.3388 49554.8330 50988.7259 40396.2724 46594.6216 59627.4449 59515.6314 60227.7506 57530.4930 14557.5436 18206.0551 21867.2332 15637.8120 17785.1797 17159.7013 23985.7908 15347.1594 14913.5882 17362.4254 16958.1526 17153.4187 20693.9513 73972.2479 20549.4622 15946.5493 13975.7680 16325.9823 13795.0297 13315.8353 15755.7978 15686.4369 16102.4774 14937.4044 15200.9039 13805.8862 19105.2174 14212.9791 14981.6774 19913.3536 16979.4360 16707.9902 11916.4621 16895.5789 18618.5462 13863.2874 19103.8823 16657.2060 17543.6303 FA(16:0-OH) Hydroxyhexadecanoic acid 95593.6281 76838.6755 87323.8113 109596.3049 92462.0628 151244.8004 92317.9322 94871.0825 84763.1065 120555.3845 15737.7605 15388.2563 116419.3213 50154.1265 14414.4981 12132.1340 31330.5205 26316.1656 139276.8471 189803.7141 181088.6011 181456.7483 191943.9701 186784.7862 192951.1725 203556.5242 215044.2275 159295.6415 153975.7086 153368.3027 155089.1775 161575.3936 162551.5880 161942.0001 190839.3685 185808.4036 195377.3884 196291.8831 338946.2411 323390.5718 300843.5631 308726.7278 374608.5088 298538.1546 259464.7423 269208.5103 288184.5495 279028.7621 255033.8000 252001.2797 143167.0905 131083.3514 84609.2977 109268.4551 120404.2239 99552.2605 115466.1538 115320.9807 90662.8297 85379.0203 89373.5967 102405.4879 97584.8856 79683.4830 69023.7559 93203.4014 69137.4250 110190.6171 92063.2522 80058.3340 114516.7235 86486.4222 83157.9338 189688.8872 79622.5678 117177.5966 138171.6791 70927.1507 99456.1084 91311.0329 83069.2878 92471.7726 91295.4780 84144.6232 122738.4888 86152.7673 85527.5424 100800.6115 109246.6388 FA(16:1) Hexadecenoic acid 3813014.9086 1429684.2829 1870310.9198 2790972.4143 1492130.8641 4493600.5293 1898616.7741 1729489.0185 1268544.1547 3033096.5516 60883.2940 57519.1082 109586.5405 85471.5132 51735.8081 53311.5113 75015.2854 73843.3169 5465727.0568 7099848.7524 7286202.5850 7588381.6557 7489978.5429 7301410.1295 7450278.5435 7371015.2697 7980631.2465 5901519.7153 5899499.9296 6104958.9676 6390215.7501 6144354.5283 6175794.4030 6161517.7922 7063073.3381 7768822.7862 7422779.7554 7394271.5478 21086911.7555 21094196.3635 21938383.0495 22149468.7066 15972058.3570 15483510.7515 16237127.9953 16194614.4019 7355053.3760 7257011.6177 7957041.6007 8031330.0228 4646599.8323 4290086.8381 1373704.5293 1814874.2092 1755442.3494 2913788.2164 1993845.6747 2166085.8306 1419761.2085 1686628.8246 1919910.9402 2658767.1023 1847722.9698 1751972.8651 1537527.9015 1259552.7847 1902512.8071 1489493.1510 1800030.1045 1355558.0777 2006092.9946 1683126.5038 1497011.6118 15929005.0766 1374768.2737 2096016.3688 4382737.6386 1357718.4277 1408528.5980 2089926.9371 1835830.3063 1610274.4552 1711380.1847 1501128.5042 1619110.6167 1744196.3016 1572219.6224 2216986.2690 2755190.7048 FA(17:0) Margaric acid 570875.4566 350076.4590 318094.2653 568920.3459 439354.8257 968862.3649 340682.1159 383954.6288 430735.5681 702894.0403 28558.0900 28642.2588 37364.6431 31656.0111 21042.8529 18322.4463 24265.0571 25270.0653 808025.0371 1191844.2981 1275198.3660 1267127.0629 1235781.7347 1292543.4554 1317962.4332 1317424.6603 1439716.3184 792550.9376 792724.3202 807750.1134 762768.1714 822734.0905 888051.8150 851597.3464 1168258.3105 1282949.2521 1331020.4305 1307416.6430 2765625.7687 2681351.3957 3141374.7448 3139398.1339 2794907.0877 2708449.9417 3005833.1818 3103804.4483 1506186.3454 1501877.4368 1609921.0244 1605024.2767 927389.8349 834911.9233 495207.2987 689320.7350 539542.8247 472870.4283 625561.3338 491034.0719 457688.3563 400834.4026 403011.3270 667095.9800 526605.0930 503549.7008 337361.9015 484957.8292 376789.6052 621318.1375 520902.7302 430158.3944 523241.6405 513115.0410 432459.1308 2938077.9043 454015.7589 604172.9479 885778.5163 394271.3634 457009.8093 377242.8528 343019.6812 447823.1404 411338.6165 449469.3778 518906.6389 411842.2889 444596.0584 416307.7229 714650.9602 FA(18:0) Stearic acid 14577325.4207 13713618.5301 12123411.5929 13514576.8949 13898928.7157 19458559.5596 12205173.6198 12882341.7830 14781604.5534 16547991.7172 825761.9034 790814.8211 1216862.8930 1082665.9440 769683.1984 603603.9462 1038519.0300 1030538.4280 11772018.5549 17202093.8895 17438012.3628 18147141.6731 18135705.7186 17765708.4419 18240770.5706 18522358.1653 19737874.0661 15443446.1570 15662128.5941 16500298.4427 16858441.7674 16356050.9252 17192401.6119 16826339.5168 17137242.2808 18092456.3794 17779506.9430 18252511.4387 17017324.9476 16473198.0534 18404265.9476 18457647.0212 21298224.8381 20366221.7588 21217535.2124 21847882.1728 13077362.3760 13145496.1354 14197640.4385 14320013.3216 17997043.0080 14630206.9140 17283252.2731 17271366.5452 17467074.2021 13792558.2365 17880265.5022 14874515.6581 14137628.4029 12566012.2150 14817334.7411 16160803.7561 17102324.4751 16947850.2620 13294746.4632 16474279.6247 14065160.7017 18669217.1542 16436663.4343 15931968.1610 15443917.0558 15723695.5205 15894694.1980 17254554.2964 15651634.1619 16684937.7740 16321674.8538 15343317.6126 14760109.2166 13797198.1241 12872723.9190 15404966.5822 14117033.8436 16283962.6934 16049220.5367 15196505.6937 14701023.2893 14722311.8854 16672085.1802 FA(18:1) Octadecenoic acid 16933994.3401 14973214.6346 16588980.4738 17037910.3373 15154635.7663 20243412.8883 16473040.2466 15826735.9769 15500489.5868 17551080.4124 448645.5901 452465.3229 1467337.5730 937692.1592 399337.6133 333249.9134 705387.9444 649454.8690 17104775.8342 22463055.5631 22709104.6989 22921535.2827 22893187.6030 22905658.3456 23128284.2417 23104112.6201 24411472.8778 20830424.5884 20975160.2659 21573192.9831 21590584.1539 21482670.9753 22283908.9439 21613773.1428 22271047.0229 23294703.2993 23124694.2238 23108357.7552 42757792.6125 42560040.3471 43496397.2609 43844466.0813 47116796.5538 45362271.0938 44776350.4681 45231677.8892 28893418.8313 28830373.3690 29535665.0199 30010212.4050 18128609.0165 16063896.6211 15429746.1191 15426154.6941 16102660.2736 16283371.3151 17176157.3702 16226492.1613 15535781.4616 15047954.5649 17072846.3639 15575617.4192 16933031.8872 16297547.1022 15974113.0456 15208364.8188 15969864.5939 15833028.1753 16740977.7148 15841581.9842 16258515.1694 16030483.4865 16644596.3052 20240144.5148 15322834.1958 15662139.7660 16580525.0183 15767241.2448 14894359.4251 16695735.3836 15946409.8417 15684824.5058 15864694.2901 15633200.5888 16232213.3211 16521705.0130 16089163.2259 17088218.8920 17478364.8892 FA(18:2) Octadecadienoic acid 773901.8220 302805.9208 459766.3915 461439.6208 346369.5646 706977.1864 441379.5965 404337.9752 312245.5528 542990.9706 172785.6866 170093.5206 680836.0184 357159.5247 143370.8314 131729.8701 220829.5444 188064.7902 4053951.1241 5030471.8198 4907246.6723 5147840.7117 5339209.8841 5184110.3121 5409973.3458 5329282.9872 6086863.7977 2739901.2086 2555808.0941 2509495.6456 2758725.0364 2743176.3096 2865280.4244 2789036.4917 5094706.3272 5035652.6085 5358644.6578 5287774.2132 31806821.4032 31610647.1173 32811522.2913 32986015.7022 39347491.8407 37377889.6487 37598447.5847 37910668.8130 24031113.8620 23986260.0428 25099259.8451 25372745.4403 1109013.3283 1080975.8639 410745.3677 333284.4324 385879.5804 634875.3066 431111.5934 446132.9852 310307.9610 382702.5712 411341.7387 510729.7158 413151.8795 354586.7321 312317.9930 346614.5546 486673.0321 310800.6144 362955.7121 328260.0704 431071.8447 303411.3861 297180.6833 5730316.6701 328693.4219 477593.4222 981294.2790 300118.5723 343048.5542 440960.6259 401824.8166 329985.5612 381228.0072 316268.7057 380383.6154 402468.0525 400607.0769 456778.8758 512836.1965 FA(18:3) Octadecatrienoic acid 176204.8925 128578.7623 177459.1311 194554.4101 114840.7145 429017.7481 148332.4438 125101.8514 91723.8807 211042.1954 4620.2204 5349.6441 35953.9249 18269.0368 8769.4215 5072.4187 2586975.2464 3488584.5196 3519073.5780 3615333.5225 3585664.4346 3477145.7204 3584083.7878 3559030.7977 3828151.5763 1835636.2182 1813762.5234 1868750.9750 1938029.1266 1874222.1253 1927326.2670 1891017.0214 3457975.4597 3683872.6394 3591746.8198 3552008.8266 14732815.1707 14643605.8072 15114410.0776 15312682.3712 16877063.1290 16316747.4682 16532152.3699 16602839.9786 8510802.5111 8536693.3835 9099771.9685 9195154.7713 207008.7349 158699.5813 134883.9010 106293.9816 120223.2684 148025.0920 146766.0697 119081.1961 84566.5759 95127.7024 170865.9450 147142.8918 160122.0454 151908.2124 112136.0475 111302.3042 189395.6474 108231.4615 150716.5374 103834.8401 141428.7502 99102.0388 110727.9937 541249.8299 115868.1329 121514.1937 155567.9287 99118.0412 92215.5571 168804.5722 130008.7084 99130.8334 116569.3288 128072.4204 132709.5083 132676.1597 118425.1948 155332.2753 199932.2824 FA(18:4) Octadecatetraenoic acid 5118.2545 4350.4359 6806.4269 5878.7271 4506.7642 7687.7131 4577.0337 4394.0032 4002.8347 6267.0063 114764.2435 146611.8029 146214.0725 147569.6153 148058.1750 146192.4506 148597.8527 149874.7080 154124.5363 103820.8055 106524.7374 113699.4826 111687.8384 106874.5648 111303.1441 106772.6933 146075.9697 149612.7465 145290.2175 146823.7900 2666908.4720 2671172.5758 2798452.6743 2853332.1359 484355.0942 459700.3822 491433.1609 491497.6286 197413.3279 197737.5790 214263.6255 207843.4005 5383.1699 4479.3136 6366.7840 4207.5833 3782.2203 4691.7413 4057.4173 4522.0562 4350.2173 3581.7727 4170.1312 5099.2095 4931.4357 4004.2250 3976.4444 4053.2757 7379.7927 4129.1178 4755.4842 3929.6857 4753.5261 5043.1360 4610.8507 8981.8691 5439.1164 5110.3945 5001.9608 4347.2275 4235.0121 6297.0699 4714.1073 4292.9289 4282.6961 3601.0956 3667.1497 4618.3471 3585.2925 4385.3239 4968.7070 FA(19:1) Nonadecenoic acid 230235.8512 123177.3610 144595.2736 195787.5998 126430.8966 263401.7178 132732.4519 139997.8584 116487.9474 232812.2578 3365.9972 4585.6797 7392.5813 5058.1660 4161.6418 2852.1489 4232.0778 3961.7196 308578.9069 472518.8294 474118.8647 494653.8500 491228.0856 483947.5960 495812.2247 504452.7099 531351.9308 315187.3612 274657.7272 289917.8516 289734.8272 298579.3513 309208.6863 301404.4611 469083.1866 483554.0191 493302.2400 486120.8323 2207798.2013 2155389.7964 2418538.6403 2458771.2176 2449593.1531 2398887.0845 2510760.1505 2548332.2559 998729.8150 1005031.3821 1045186.3717 1076274.0224 325995.1550 292132.0165 110208.6218 155761.1125 142136.6503 179247.9442 170307.4992 158301.3404 151990.8916 136073.5186 155296.8336 106913.6820 160132.1682 145943.6232 118891.1055 119389.4323 121766.6660 132389.6702 162645.0332 108741.4567 166324.0783 148727.0013 126475.9709 1519187.2850 117701.6847 168080.9473 330998.4815 105243.3202 117406.4100 144400.1868 122139.1637 122156.0765 128707.3210 132598.0161 158668.7038 142375.6166 132116.8658 152936.2885 163223.3117 FA(20:0) Arachidic acid 63604.7843 52478.4160 40111.8535 114609.1303 74954.4774 218787.9121 51686.1350 57677.2079 71762.7857 121703.9990 7681.5477 6251.8451 10116.0958 7907.7165 6124.1637 6762.7315 8677.6622 8507.1036 151875.9302 226227.4312 224766.0923 229056.5806 251778.3295 236871.6097 249735.7120 265873.9816 274675.7637 101170.0044 101252.6021 96842.2481 109200.6767 105296.4956 116792.5872 114032.2904 212958.0146 238840.2472 248136.0247 253868.6968 524419.4562 506501.3568 560145.4934 566976.5379 995549.0351 940430.6496 933004.1586 998881.2039 428273.3073 422278.7014 437807.9413 429635.3505 145020.4445 91824.7440 108759.9602 147398.2893 124472.3354 61390.6984 97244.0647 92891.2078 111299.1220 79169.1962 61173.1264 146396.9449 93706.4950 80850.6502 49099.1416 108892.1265 58226.8245 138805.7620 107358.3305 85138.5590 112465.9632 103617.8677 70237.4998 168244.3993 72905.2299 115169.4907 99304.9506 72113.4329 80254.9803 57524.9319 46048.2421 78565.7154 56350.5789 70972.4301 70963.9579 68161.7296 66783.3538 66041.1144 158885.4210 FA(20:1) Eicosenoic acid 1966552.2492 1720093.7119 1786048.3988 2468836.2510 1592388.2566 3595826.8546 1792138.4486 1798283.4911 1487505.5948 2793983.9158 8707.8533 9537.7458 18899.7860 12068.7059 10427.8306 5621.3359 10130.1004 11709.0763 2522189.8937 3895034.6517 3988175.9067 4089260.8213 4042690.0769 3927494.9912 4027940.4062 4029791.9428 4356622.4035 2846070.8355 2755175.3293 2958202.3363 3039628.7044 2896225.1850 2963284.9223 2891649.6800 3899209.5454 4135878.1266 3966370.0860 4034239.1187 9233744.7315 9009004.5822 10034851.3829 10168617.8795 13045490.3310 12920912.9772 13461918.1072 13618974.9404 9908991.6056 9896189.7674 10528511.1978 10704150.6173 2411355.0058 1721213.0011 1365178.8997 1755377.1348 1841232.7556 1919692.3411 2157686.4332 1958256.0406 1821741.1663 1565291.5648 2117786.3175 1897339.1515 2104346.4147 1903991.1810 1659266.0549 1590017.7262 1596070.2687 1813889.7862 1987229.4395 1530943.3057 2203257.4211 1957040.2371 1839700.0022 3396524.0092 1680785.4515 1846010.0384 2083266.2801 1622087.4335 1438358.1320 1940149.3038 1581037.7490 1651573.8749 1600831.3514 1803035.3226 2040111.5506 2154508.3588 1840466.6315 2125739.3661 2410775.9649 FA(20:2) Eicosadienoic acid 973123.8001 651764.4906 735959.5712 1003756.5012 591095.4950 1766801.3939 760592.2564 621536.3861 525155.9139 1269943.2561 7254.8925 7195.8799 16242.3226 9813.9621 7167.8411 5435.4422 7889.9180 6865.6934 1686369.2167 2588210.9429 2625159.0227 2673001.9415 2606738.4461 2579365.4317 2592439.6805 2613812.6882 2780615.4938 1702562.0643 1622105.5354 1657178.7303 1610866.4722 1630675.1306 1681721.4154 1607342.5360 2558471.3370 2656587.5505 2587031.6153 2534160.9312 9991701.7851 9809579.9040 10503872.7420 10599043.6282 10919569.6228 10672940.8286 11015484.8201 10935145.7677 6849561.8242 6759192.6075 7082949.7689 7133406.7532 1212459.6873 1032919.5648 547517.0046 728963.7927 711704.3996 862011.9121 911031.4411 762591.4880 652781.1217 611606.3852 921921.5154 594455.0030 784756.3550 834075.7213 682994.3544 675104.0194 685142.5076 672541.4168 848236.0268 616519.3295 805310.6647 744327.2266 694052.5749 3536500.0050 671452.4644 798658.0385 1099816.5837 615961.8237 626422.9672 854657.8952 824664.0884 709359.0225 719748.2067 775696.5053 929762.3703 811872.0768 802040.7212 988434.3659 1167536.8201 FA(20:3) Eicosatrienoic acid 2716935.0215 2690879.8018 2287753.9190 3341467.3232 2027958.6479 4602074.1999 2288191.9185 2027156.4819 1587883.3623 3452149.2821 8352.7488 11324.4178 46150.5109 28425.9443 28480.2870 20212.5363 2349199.4079 3254923.7430 3379484.0060 3453450.4707 3425029.8861 3292243.4842 3336940.6448 3310144.6415 3408788.8216 2904580.2990 3006494.4445 3091277.3037 3122821.2070 3012680.3086 3074131.0435 2974914.3529 3315288.0783 3497557.3810 3348370.8116 3310893.4553 9965338.8173 9795314.9257 10252017.8801 10285192.2149 10435522.1467 10175737.9295 10164696.0805 10333196.0877 4299239.9886 4257009.7530 4595743.3779 4621906.4365 2604323.9467 2417117.6552 1842490.0428 2383300.5379 2242004.9541 2475874.2541 2452873.1098 2336088.0248 1827970.8967 1749303.4469 2819488.1966 2185517.8972 2351905.3733 2518465.2777 2673819.2876 1962037.8823 2077312.7112 1782073.0588 2018298.1928 1779273.5605 2793546.9895 2292657.8254 2537212.5910 3387350.0047 2270782.1656 2401216.3010 2439724.9954 2102780.3222 2414767.1967 3394408.3107 3553206.1992 3034459.7970 2684995.3914 3008105.6545 2853267.9419 2977093.1748 2830461.1360 3421700.8751 3791369.9841 FA(20:4) Arachidonic acid 37761061.3343 37095826.9548 37713010.3431 37596651.4421 35914386.2836 42423523.7470 37314596.7579 36279707.5724 36317478.0059 41442827.2950 463041.4461 427770.0945 828470.2864 652062.2200 758035.8790 496448.4965 578787.4382 540306.2185 32038250.0682 37888606.8734 37450420.6416 38165451.3309 37920320.8327 36918385.0382 37159103.6132 37048873.1690 38435402.4067 40749450.5799 40485009.8120 41024153.4600 41649029.6690 40639431.9132 41417699.0534 40011146.8308 37928818.1615 38396312.6021 37371219.9485 36786312.3995 19243229.0025 19152564.3406 19322433.1303 19351888.4232 24554679.7406 23485055.4335 22800787.7340 22792995.8768 18192576.1996 18147390.9084 18239092.7206 18485166.1459 36236835.5460 36037520.1995 37024938.7680 38712159.9477 37962828.8846 38378590.6453 39519825.2680 38219917.7416 35484261.3255 36060170.7007 38749148.1699 38027911.2796 38550725.5055 39326218.6691 37574453.1623 37244556.2189 36444317.3350 37679617.6634 39349472.8877 36977894.9611 35957324.0997 37690451.0184 39742108.3819 38038033.1982 36443425.2501 38334420.8488 38659032.0565 37421166.8924 37468768.9659 37968460.2230 38726972.5932 37796389.2861 37827912.9581 37439840.8846 38772831.4286 38274582.2742 36198036.2499 40371545.4810 38445940.7815 FA(20:5(5Z_8Z_11Z_14Z_17Z))) DPA 411786.8407 349360.8892 433051.6507 450886.0469 278791.8185 622682.9329 302972.0480 273838.9061 238637.8701 530052.6645 4478.8106 4649.4442 11274.5211 6853.7660 3516.8245 4355.7857 4806.9178 3902.3317 1564050.4605 2124854.1462 2093999.7327 2165699.6713 2128175.2847 2061351.2646 2087687.4471 2072415.0529 2158006.7081 1481272.2096 1453676.2322 1479999.3263 1488218.8105 1474248.5519 1481987.7539 1431428.8813 2171063.6827 2173839.7930 2128346.6149 2053589.8022 13407727.0128 13384175.0115 13328555.2861 13469065.4915 6889963.2075 6716292.5531 6806363.1908 6787826.5027 4233901.8808 4214306.6919 4386675.9280 4390376.9843 338893.7376 329743.6891 268433.8090 309486.4580 274306.8767 301844.5856 281778.7751 275459.9603 236687.7368 236097.7346 371326.5726 288348.0521 321719.1307 280246.9579 252990.6699 279463.1138 261198.9840 315272.3435 329986.5230 219737.9314 378191.0877 401434.2613 426902.2557 389727.1438 379061.2280 348493.2587 326494.8876 312276.3484 290576.8530 470972.3309 332948.3822 321803.8363 309313.0655 332752.9000 273926.2667 302932.4551 263317.1374 376373.7461 393152.1720 FA(22:0) Behenic acid 11008.2020 9042.1853 9490.8553 23263.2570 13893.1919 21606.6539 10793.3381 14589.5808 15723.7587 18711.4467 3893.7545 3368.5967 3575.9431 2818.4595 2872.5092 4181.1905 2954.4668 23259.6883 24153.3432 24624.3275 27993.7250 28866.1706 29597.5572 30181.0847 31718.5428 29385.5013 23178.8143 19462.4941 20508.8943 21835.4566 25830.9844 27559.4755 26602.5729 25212.2178 28544.9747 29539.9295 29741.0346 44488.4710 45257.9827 50996.3281 50667.5173 73439.2823 78120.5296 83841.3749 87426.1688 42113.1689 42038.1237 48300.2773 46048.1609 25912.1577 16377.9064 18056.5069 10224.2733 19050.7052 12873.6196 17985.0264 18550.0368 18622.4450 22619.6922 8496.3439 18812.8313 14072.1726 13341.1368 9198.3280 15805.5920 12285.1217 18512.0139 14399.8243 14603.6422 21110.2995 16021.3726 9323.4437 31252.5157 11972.8859 17804.6234 16055.0138 13904.6249 14745.3054 10681.8389 10436.6797 11900.5823 11018.4936 11718.0103 12025.8231 14008.1283 13698.5718 12598.0026 22850.5966 FA(22:3) Docosatrienoic acid 124164.8655 93575.2059 90372.4130 139130.1525 74986.5875 240207.7064 103649.6224 83122.7401 64655.8375 138453.4733 123935.5001 174746.2480 169533.4667 176149.9160 172261.7277 159593.7522 166824.3563 168810.2554 165954.5357 166478.4046 142188.3893 150057.4482 160124.2137 154397.5631 153596.4461 157688.4545 171244.2012 165086.7937 161021 165679.4790 592418.0799 584897.5836 620962.8747 610314.7220 623884.8870 609170.8584 599619.1861 609687.5746 364953.6028 363064.4272 367245.2859 370398.3763 158187.3382 141754.5142 62349.8766 78258.8725 84277.6168 108917.2654 108661.1804 96862.7848 70851.8875 74542.6297 125457.2633 89874.8131 94286.9095 104200.6999 96334.6023 75063.2429 85708.3413 62772.2849 85749.7736 65041.7733 108630.2150 80437.2214 76202.4239 583255.4473 83464.4663 96679.4938 137012.4082 75193.1336 72722.3056 125867.1077 119916.4921 102486.6440 95911.4717 100853.7713 111192.9301 114164.1246 100131.4804 140757.9313 133297.0838 FA(22:4) Docosatetraenoic acid 9210340.4044 7223477.1767 8327487.1359 9266975.7191 6596199.0368 14240166.3029 9257139.0747 8539652.3589 7151448.7760 10917651.5071 23991.7929 26152.7791 45292.4902 37558.0938 33858.7719 23132.4379 34776.7891 33012.6514 6430815.5061 8928743.2166 9122941.5773 9206141.2258 9129369.2176 9019431.3445 9113063.2152 8982770.9778 9539557.9108 10645074.0871 10791973.6165 11214308.8307 11238428.6054 11004656.3052 11242788.8420 10976658.4080 9020435.2487 9399818.9168 9076765.0717 9019771.4963 7940010.3623 7901598.9355 8414766.3252 8468517.6370 11491513.3825 11285619.7555 11260889.3483 11453044.7156 9919797.5673 9897702.2458 10255486.7714 10460949.8780 9147082.3551 6619288.9332 6067974.5659 6888790.4759 8074132.3756 8754819.9510 9877925.8771 9085121.9078 7266445.2402 7336808.2311 10135122.6547 7663711.1120 8822576.9180 8884678.0690 8066980.4649 7395512.9355 8130296.9615 8017742.7712 8960185.2776 7229853.9894 9007595.4182 7632823.4935 8295943.6482 6355169.0107 7442507.4676 7924377.5738 7978908.2036 7798901.1873 6943334.3623 8859101.0087 8190550.5575 7222247.4423 7506251.4388 8203130.6935 10131290.5259 9169952.8739 8606792.5482 9959322.2908 10465902.5373 FA(22:5) Docosapentaenoic acid 1382204.9945 1144144.7279 1232444.0074 1238310.3122 929131.1277 3166303.1504 1659409.3969 1413772.0472 1058264.1105 1733708.7113 8314.0113 8499.0479 18854.2120 11222.4183 10535.9211 8138.3019 10511.9493 9852.8400 823777.6511 1237090.7461 1304419.8730 1241871.1140 1237417.4259 1256325.1465 1279289.5563 1273380.4608 1327426.0414 1769731.9789 1845757.4352 1847818.7380 1865819.3099 1802076.6228 1866176.0685 1827994.3738 1301625.7303 1320035.2232 1294102.8941 1278448.8567 2663655.1001 2450355.7559 2711469.5976 2653434.4892 2825382.6194 2851443.1868 2594443.3372 2665875.8134 1262223.1533 1249288.7801 1315656.1636 1342422.3794 1511891.2878 1070941.9156 928922.4727 935941.7099 1187866.0673 1529638.5647 1589433.6681 1417787.9901 1045071.7737 1137934.5083 1700668.1783 892315.9302 1400483.0410 1492664.9364 1438206.1940 1128211.8292 1331166.1485 1024401.1741 1345775.7667 1261272.8162 1146983.7357 966013.9773 1101165.9145 970837.3070 1168378.3131 1244516.8476 1278872.7805 1152052.7888 1055931.6214 1538899.7530 1553819.6554 1307247.9541 1288308.0146 1389567.6392 1975991.6755 2080749.1578 1754717.0827 2201098.4978 1930431.5836 FA(22:6(4Z_7Z_10Z_16Z_19Z)) DHA 15112094.1462 12299055.9824 15030080.8890 14136136.3239 12693389.0080 20390691.7047 14552485.0438 14061177.3130 13077329.1943 16455687.8681 221547.6857 223870.2762 336534.3261 307672.1098 253102.6730 231292.4495 291400.6069 276610.1013 12267080.6240 14589878.7783 14599348.3571 14832024.7660 14701380.3467 14311144.5663 14525320.3109 14614008.5623 14723413.2293 17913542.1919 17993802.0459 18389693.7374 18594019.1918 18071909.9599 18630587.9108 17802676.1564 14648795.7376 14823066.1040 14612037.2893 14296567.1717 18636622.8632 18609977.7577 18555974.0934 18603220.2221 15117514.7612 14565514.3609 14277875.0552 14281478.0011 12359677.5509 12337838.6781 12516325.2567 12611819.1161 15228756.7281 11814410.4460 11752725.3159 11958588.6243 13678871.4508 14186598.0873 15669797.8739 14770788.4091 12427681.1854 12911988.1975 15917886.9760 11765305.0779 14194151.4048 14250125.9590 13700159.7602 12418712.5493 13587601.5136 13720199.8160 14391323.2761 12932871.8707 14696316.6393 13178611.4387 14794521.5407 12770309.8976 12559526.3695 13442960.5892 13891673.9382 13497735.6120 12616333.6490 14662838.7273 13789864.6292 13191807.7493 13351415.5202 13753085.3907 15415439.0155 14320458.4158 13764134.6250 14953302.3052 14907177.1655 FA(24:0) Lignoceric acid 1956 1530.5904 1549.8861 4277.6461 1844.1616 4428.9964 1658.2702 2710.7746 3478.8159 3110.4460 2720.2645 1997.8374 2696.8308 2454.5309 2683.6598 2460.5216 2878.6838 2203.6228 3970.7826 4170.2399 3722.9036 3665.7038 4139.2324 4469.8335 4877.4820 5286.5040 6393.6004 4122.0025 4266.3581 2726.1555 4121.8821 3655.0430 4671.4419 4744.7274 4178.4546 3241.8856 4727.6476 5204.0184 31848.2588 32949.8488 37604.1420 37263.1478 43729.9722 38068.2048 46987.3392 47621.7316 25331.7125 24233.7911 27994.3535 28042.4044 4375.9155 2552.4493 3082.2748 1956.4423 3673.8153 2642.8282 2542.5976 2887.9757 3593.2197 7643.3536 1662.5269 3010.0760 2966.0469 1979.6998 1588.4724 1568.1898 1855.9952 2425.4756 2312.4981 1935.6077 3880.9807 2611.8406 2164.6465 4587.6898 2132.7851 3022.2157 2559.7849 1813.6471 2596.3300 1709.4776 1929.0400 2300.1591 1462.8670 1944.1800 2260.8873 2095.9145 2523.6850 1680.5788 3413.6318 FA(24:1) Tetracosenoic acid 20361.8684 22896.6934 17390.1383 21817.3336 21376.9683 37276.1173 16938.0709 24487.6013 27167.8966 25829.7763 1503.9737 1601.3131 3644.7237 1866.4082 2098.0373 1610.7571 1883.7566 1551.4215 31605.5218 38480.9205 36316.7671 33969.8094 40550.6874 44298.6466 45449.2995 43517.7294 44981.4950 34418.7740 38072.0507 39307.5028 39552.6384 42072.5672 45630.1839 43177.7306 39280.8865 39816.3814 41183.2119 45476.9170 266277.3035 265812.9164 311226.5365 304106.7922 971233.6038 937483.7073 1054261.3168 1081183.1437 576448.4541 560077.8671 649245.5677 630497.2311 41663.5295 25995.5130 24297.6493 21253.8559 28793.5191 25114.1390 29012.2299 28016.4973 27967.8586 20859.5820 22903.4163 27415.7738 33257.3480 22690.0027 15946.1873 26709.3920 17345.1194 33351.6546 23724.4571 25066.3919 34605.7517 22836.0989 25448.6376 63921.9013 26179.3118 26208.6624 31815.7098 24551.8098 22109.5928 22364.2925 11993.0988 21952.1966 14588.2584 29934.3781 28883.7538 31683.8971 29000.9592 22576.7259 24195.2565 FA(8:0-COOH) Azelaic acid 12173.8807 11230.6723 11330.4572 12094.9143 10904.2174 19564.8541 11239.6894 14096.1386 10281.9619 13649.2291 10387.3801 10168.7466 9001.7208 8868.1111 22698.9244 23427.6933 23962.0897 25385.8030 22924.6223 22504.4343 23156.0370 23871.3105 22797.6071 6454.4071 6050.0395 6231.9726 5953.2174 6196.9224 5934.2344 5813.2824 21574.6081 23816.1560 24357.5425 22552.9538 15882.6522 14188.2060 13093.0330 14145.8103 16905.1700 15535.0402 16497.5736 15321.0127 16082.6292 15896.1789 13807.2641 13665.0641 13278.8280 12154.8848 12468.5571 12317.3881 12867.8902 12874.8486 15048.4907 12559.3466 13988.4023 11161.0519 11766.9408 13422.4047 12913.9974 14171.2677 11023.4606 14026.4723 13098.2216 12705.9117 13458.3462 10128.5347 11398.8748 9586.4642 12750.1710 11677.3604 10870.9196 13377.0645 11376.7339 11022.9687 12665.4079 12450.7068 11653.8136 11371.6827 12094.7935 11407.6203 13165.9869 11806.0899 11722.7347 14915.6696 14847.9556 FA(8:0-OH) Hydroxyoctanoic acid 4586.5869 3423.0096 2932.5113 3563.3922 2208.7716 4371.9805 3179.6129 5339.8497 4834.8606 2730.9363 8866.2641 9381.7021 8684.3035 8189.3371 8408.5801 8354.5811 8157.8419 9097.5422 8499.4528 1778.3454 1647.5398 1528.0512 1726.1633 1601.5182 1494.1134 1740.8270 8033.6744 8244.0184 9303.3814 9396.4994 3554.8180 2832.1845 2203.0974 2675.6443 9632.3788 8908.0873 10097.3395 11529.9204 3873.3890 3186.7666 4304.0978 3290.5160 3282.0399 2696.2083 4770.0769 1497.9926 3567.2931 2614.9197 4674.4809 2799.6580 1649.3732 1975.9678 3702.9389 3759.4580 3238.5785 2352.1106 2515.4519 3876.5401 4330.7012 4662.4757 1653.8977 2992.7829 3180.1308 2385.6742 2367.8804 2833.5371 2988.6314 2500.2663 2038.2140 2170.0493 2614.2456 4129.3524 3215.2156 4131.7617 3257.2949 2012.7630 3748.7714 3829.2957 4052.2089 5745.1742 4065.7718 FA(9:0-COOH) Azelaic acid 27848.1360 17318.2949 22392.2238 37998.3073 20580.2895 126468.8029 29203.0771 29882.2699 26489.1220 39667.6992 19816.8752 18324.6361 17572.2546 15376.6316 14119.2086 15435.6699 12563.7491 12369.7101 84184.6366 77444.5196 86083.5690 80729.4971 78866.0184 84212.4762 77795.4854 80536.6160 82028.1713 31148.6780 32071.9962 33002.2063 32057.8903 35053.6489 35717.5067 31723.6576 74343.4328 72545.6424 81026.7732 72486.3443 27474.6416 26347.4046 32326.5788 28697.8416 38271.2443 35677.3013 35585.5336 32432.3870 22961.3896 25418.5944 23135.1534 24634.6735 32250.8859 23174.9595 24864.4982 33698.2355 22685.0154 38929.1626 53959.7663 22429.6455 33760.7301 17919.4371 19614.6045 47116.9701 25330.8998 85147.0061 16017.8200 31275.0380 62581.1373 25507.8452 32548.9861 17627.4994 27614.4771 28593.4525 21423.5819 30350.9404 18964.8651 21829.7011 26635.4785 16532.5474 23320.2040 31446.2483 19640.5494 20347.7229 19558.1582 24938.3296 65982.4315 24302.0256 27766.5378 34128.6521 49417.7474 gamma-glutamylisoleucine gamma-Glutamylisoleucine 2711.8005 2144.4126 2300.8391 1890.3065 1478.6243 3572.4815 2162.5913 3057.3497 2696.9004 2381.2195 2210.1001 2604.5740 2227.2125 2112.1543 2600.7173 2843.0748 2597.3091 2263.1016 2571.6877 536.6359 929.3762 702.8604 714.9644 799.8718 691.2100 710.7180 2109.7457 2352.4973 2270.5515 2880.3597 1434.6548 1684.7288 1866.2794 1024.6153 2185.8248 2078.9090 1121.2160 1617.8564 2033.4740 2006.3758 1653.9664 1689.6252 2415.7475 3361.2347 2474.4903 2297.2556 2695.0749 2149.8505 2768.8557 2622.8891 2493.4881 2309.9975 3104.3636 2432.7964 2687.5778 2807.6577 2347.5044 1651.2436 2097.0452 2346.8343 2298.9739 2507.0351 2319.5593 2242.9656 2638.4472 2109.3995 1930.3281 2125.8060 1872.6170 2122.4163 2673.6292 2267.5352 1979.8389 1760.2410 2059.7949 2824.6104 2286.0715 2612.4067 2713.4632 2120.5191 1801.8504 gamma-glutamylleucine gamma-Glutamylleucine 12234.9939 11800.2461 13071.1447 12227.1560 9704.0258 15212.7275 14351.9508 13397.5402 13765.3509 12911.8367 11296.5299 10965.2611 10372.2434 10939.2531 10295.6233 10633.6065 10549.6356 9836.4239 10977.4673 6430.2894 5947.8359 6422.7167 6603.6518 6350.8052 6409.6116 6384.8825 10906.7797 8845.7409 10637.0186 9631.0588 7300.1480 7501.3064 7491.7178 6680.1758 10615.0326 10955.0723 9863.5864 8823.2077 7196.7954 7481.1488 7510.1114 8543.6356 18127.3869 9489.9561 12841.4314 10149.1659 12711.7593 12383.3445 13623.9812 11452.6198 13603.6198 9797.9887 15467.3532 9496.2754 13819.4138 14154.6742 9513.8436 11624.2779 10121.8461 11742.2974 14557.7466 10737.9763 14170.6278 12132.9251 11861.3217 12943.5376 11981.5473 9818.1517 11002.3625 12179.4826 12962.2702 15673.0661 10956.7471 10458.8027 8772.9080 14902.2423 14804.4220 13999.2189 12185.4837 14292.5072 11891.9625 glutamate Glutamic acid 594307.6578 613115.6160 622460.9428 632372.3274 584724.2956 620459.1552 630326.2731 604600.8873 672143.8849 603322.4030 520401.1537 563914.4796 557312.5649 585239.4440 563339.4634 538602.0461 563555.1956 571680.8512 560764.1205 589616.0214 592950.5855 595145.7321 564681.5228 616150.2584 569789.8238 605799.9591 563308.4751 527469.4877 591078.1946 537191.6720 260064.7320 253700.7922 286050.0987 271744.6767 174369.2349 166505.1698 192508.5440 193691.4025 231119.4906 239273.0517 255466.1314 260834.3511 640376.6742 602603.9420 619484.1586 631664.0266 683474.0697 667094.6333 654280.2627 629169.5152 642675.8847 604524.6973 647320.8487 581111.9283 661463.7795 690293.6490 630957.9819 599906.9241 633463.0378 646728.9256 607756.5012 671507.9206 651462.4473 679729.8878 596064.1526 658025.2715 603993.2049 622906.2962 644734.2584 628552.0823 634906.4715 631747.8817 638447.5227 609453.3012 582571.8127 624696.8770 641440.9165 659462.0654 623621.5847 658483.1543 603185.6855 glutamine Glutamine 239892.6917 222074.6509 240921.7118 200355.4755 203148.5316 210744.0272 228494.3429 202671.9364 207883.2800 208720.7107 182421.0040 181691.6840 182470.0819 182032.0170 179044.8957 181515.4384 190315.0219 186921.9985 182368.7823 63944.4774 63642.2734 62323.2845 61732.5661 61800.6851 63615.0384 65266.5771 180680.7124 184572.4069 197959.8020 198505.9102 192761.1347 191445.1294 198683.5460 202012.5403 298239.1380 288240.4382 302400.8225 291070.6286 249202.9454 241005.2718 253631.0714 254006.8537 197139.9920 224323.9988 239391.7236 191879.1060 231468.2959 203385.2708 211066.9276 208747.9255 175542.7307 194679.6419 229852.0137 171042.7797 218474.7259 215810.5697 224161.3973 191826.6478 232137.5130 199416.8233 204830.1739 224411.2617 193023.8723 207079.9939 216961.3749 206025.9704 228667.1071 217565.5267 216402.8131 214045.8644 213405.1859 219741.6860 227638.2651 194559.6284 194979.6028 216541.4749 206100.3106 187659.5085 204769.0662 210569.7116 196093.4590 hippurate Hippuric acid 3908.5976 3696.2413 3148.6833 4190.9858 4237.4471 4054.3363 6024.2176 3954.4406 4469.1103 2760.1941 10222.1103 11577.3739 11182.6407 10685.1381 11511.5237 10065.5772 11438.9194 10561.6753 11641.3745 1463.9158 1755.8099 1259.6746 1577.9811 1579.4579 1495.3133 1443.2754 11351.6950 11464.4761 11668.0239 13186.7012 14633.0599 15622.1289 16434.1625 15094.8099 33386.4163 34696.1602 38312.5759 38838.5875 33657.6834 33067.2950 35937.4209 33524.1613 2511.8027 3678.0390 2808.4455 6093.5863 4285.9088 2030.1378 788.0840 1461.0891 1516.2623 1409.0163 3057.7825 4908.2011 2551.8699 3681.3714 3953.7219 3452.2458 2995.9992 2322.8911 5004.3173 1379.2734 6505.5433 3701.2884 1821.5575 5899.0416 3965.6641 5063.9970 2193.2210 2913.3090 2671.9050 3837.1358 3802.3117 4179.6716 5856.5055 5196.7448 2943.4101 2630.8384 6936.7169 3812.5196 3540.3504 histidine Histidine 34087.5647 33129.8444 31203.4959 37182.6487 33671.1224 39325.4365 36756.8043 39889.9505 37058.7666 39358.3174 32372.6809 31826.2865 32137.0302 33329.6882 31937.8538 33275.3633 30707.1770 33155.4124 33877.3532 37710.4021 37127.5064 35732.8954 35165.2688 35892.7523 36187.1948 34657.3326 33498.8748 34119.8315 34351.8461 32016.0193 18003.4710 18037.4705 18099.8582 18973.2160 32493.7147 30027.6857 31736.4680 31581.3580 25588.5673 26060.3117 26557.2409 26596.4344 33747.0720 39183.6328 34536.4692 30863.1114 37102.7301 37955.1734 38376.7593 35137.3467 36014.0091 34239.1095 32198.1511 33698.3383 37989.2527 30651.5971 28733.6254 35792.6006 34981.1356 34464.9066 33237.3090 34475.8047 33557.4614 33164.7029 35424.0815 38055.1301 32256.5662 35151.1442 33938.7141 31180.3182 33322.3227 32411.3372 28332.4788 31824.3912 34246.3848 33854.2030 36086.2789 34480.5748 32491.8663 32230.4112 33353.2563 hydroxyindole acetate 5-Hydroxyindoleacetic acid 1792.0958 1838.1130 2645.2698 552.7368 1359.0883 2254.1818 2862.7370 1227.8114 1463.4756 1387.1163 2061.9130 1612.3241 1505.9690 2222.9612 1753.9239 1878.2796 1802.4057 2190.5631 2337.9256 132.7656 385.5570 380.4295 535.5553 331.0996 434.2597 338.2662 2129.8529 2195.3441 1885.5600 1975.0055 2159.2526 2055.3860 2325.6036 2084.2909 1716.2662 1569.3058 1909.6041 1983.8294 1676.6159 1352.2636 1395.7850 1969.2876 1832.7992 3343.0030 1162.8517 1099.7920 4118.6401 2092.3412 1937.0428 2137.5032 1381.8884 1540.2486 1292.1518 2660.5016 1694.5312 1245.5524 1958.4338 919.0388 1922.2779 1218.0811 945.3764 1546.4514 1575.3065 1579.6340 932.5349 1012.0583 402.7054 759.5029 1014.9994 326.0221 1472.0798 759.9068 1195.6498 1195.8594 543.9109 1205.1723 2053.2259 246.5846 1578.8115 229.1107 160.2291 hydroxyphenyllactic acid Hydroxyphenyllactic acid 30998.8959 30560.0226 28623.0724 27051.4837 25200.0875 35427.9223 34350.1223 33942.7847 38722.9934 35043.6689 28073.1436 28258.1499 28184.0631 28868.2755 28164.3344 28275.1020 28751.1975 26707.1547 30215.4433 20403.5038 17947.3205 21595.3485 19866.6074 19597.4252 18769.5726 21500.2168 28167.0067 28568.5709 29033.4392 24010.7745 5089.0107 6892.3265 5655.4725 6279.3175 14839.7349 14671.8355 13618.6570 13146.4267 9810.3424 10073.6314 10012.6983 8744.6897 38508.0918 30994.1144 29311.0586 23871.0105 35792.1909 36215.4770 38458.2407 25876.5721 26235.2569 27980.7244 32082.6231 35586.8994 37839.6311 34421.2928 29127.2811 30149.7148 31774.9921 33804.1863 32393.8453 30660.6094 36936.0083 33669.0032 31054.1024 36524.5731 38077.5940 38935.6152 30608.6365 33271.0345 36174.3297 32146.0033 31267.9937 38167.1347 30673.0124 33973.1371 43170.8440 41964.5889 29612.3855 46526.3731 31098.4560 hyodeoxycholate Hyodeoxycholic acid 7671.8859 4169.3648 3638.3349 36030.9500 38063.7971 41369.9184 41352.8958 41798.0615 32678.1717 36021.8527 38645.9843 36866.3602 23570.1896 29065.7707 24383.4098 19079.6227 18536.1397 24135.2526 24428.0456 34417.6099 39982.0282 37953.3207 38538.3248 687811.6974 680224.4275 701800.5781 714400.4026 17196.9016 14367.5179 16449.0326 15263.4099 34942.1910 33285.7492 34215.8399 34513.3648 10028.8529 8396.0509 14094.7006 23079.0137 55224.6786 2704.3185 6975.5287 11345.1176 16056.6432 48470.2736 11037.5582 24811.5872 11736.3494 4557.4235 3237.2833 4214.0347 4192.8714 3693.6114 6506.8819 1412.1128 1515.7047 4579.0193 indoleacrylate Indoleacrylic acid 7772.8009 9351.6329 8613.5726 8097.0939 7742.9181 8609.5631 8801.0207 8654.3476 8344.5069 7070.6090 7947.3413 8839.2737 7729.1784 8338.1167 8580.6789 8428.3756 8408.0029 8227.2645 7010.3803 10437.2644 9552.6327 9879.1117 10853.2072 11783.8948 10155.6184 10790.1200 8474.4426 7707.4998 7401.4424 8104.1122 4583.7062 4145.1346 4666.5880 4379.1453 13790.4945 13437.7480 12824.9616 13871.9397 9542.3338 9660.0192 10176.7286 9397.3246 9944.3356 7805.4977 7783.4648 6826.2125 9814.4749 7869.1616 7734.7545 7490.6910 5962.9649 6420.7642 10864.5539 8811.0746 10455.0439 9299.8422 8330.4267 7547.2837 7877.0316 8265.4489 5629.2071 7880.7418 8803.4747 8780.9586 8769.9534 8429.6402 7554.0690 9037.1207 7420.9788 7418.7345 7571.4934 8013.7585 7562.1130 7762.5145 8066.5830 8396.9709 8555.4689 7811.6121 7383.4963 7644.7355 6907.9324 ketoleucine Ketoleucine 1336.9062 1441.5514 660.7933 1009.2981 987.3900 1796.5622 1298.9127 1989.1726 1714.8802 1404.9826 3689.1323 3698.0867 3781.8733 2786.6932 3430.6709 3614.0253 4010.9474 4367.6925 4330.0603 249.8451 498.5263 196.1055 752.3745 450.6644 546.7388 894.1796 3088.1699 3364.6796 3713.9204 2637.4167 4100.6890 3545.8651 4156.9007 3521.0473 51443.5200 49738.5352 48249.0451 45065.1489 18753.9235 17818.9972 18227.3165 17802.7970 665.4916 750.5470 1494.6237 1318.1514 1356.8923 1426.3941 1306.4960 2055.0023 1678.7873 1040.7469 1097.9557 927.7687 1038.5879 1547.5227 595.3251 1820.9413 1182.0327 751.7348 1637.6870 541.5224 1761.2843 644.6136 1743.8469 1925.6003 1381.3962 1899.9890 1747.3368 1698.7507 2071.4236 1836.0944 1347.0645 1736.7056 670.5137 1275.5568 559.4142 1578.6802 1932.1488 708.7567 797.7560 kynurenate Kynurenic acid 1985.9322 1819.1953 2146.8358 1562.9019 1044.3688 1394.5234 3225.7497 2648.9964 1625.0505 2454.0166 3645.9807 2223.1992 3344.1378 3401.0268 3206.4433 2578.2914 2773.5599 3402.1838 3112.3132 1446.0075 2624.4314 2017.2251 2175.3243 2147.3450 1882.2049 1910.0356 3007.0606 2807.2594 2991.5125 3294.4445 11439.8784 11861.7765 11338.2966 12478.7138 10649.1507 11744.8303 12091.4515 14373.9715 9397.9906 9949.6055 8510.5202 8623.1021 1367.2684 1021.3765 2153.2867 975.6767 1015.6403 1414.6533 1333.8289 1384.6422 677.6904 1284.6636 1910.6719 1708.4453 1375.1251 1245.4103 1586.9296 1131.0795 1714.1639 1671.2103 1025.8037 669.4708 1194.5581 206.4573 1458.9951 1892.1265 847.1012 1654.8080 1179.5967 1575.3633 696.1351 4845.8065 673.6374 1416.2057 3215.3910 313.2672 1847.0013 940.3136 8938.8580 2657.2129 1512.6654 lactate Lactic acid 274629.4444 200345.8419 203559.8945 273579.4466 203325.6059 315229.6367 265344.3174 267182.2467 228389.1472 229088.7657 8562.2783 6885.5669 8282.4343 10480.5513 238317.5422 236922.2299 231384.3280 221963.0332 222922.1918 233927.7313 242186.4838 250350.0835 232771.8018 57180.8806 59029.2586 54543.9550 55765.0833 60432.8021 60617.0830 63169.5037 241527.9691 226133.7622 264981.4163 255105.9909 441919.4215 451136.6654 462986.7450 455987.5382 589968.3609 559229.8294 595622.8621 587017.7578 547571.0874 532470.4102 558207.6362 553199.7445 269696.8460 253046.1903 212296.3681 194779.7053 226733.7800 258963.1217 259422.1849 235601.3383 231483.2388 206480.9162 273720.4786 223543.1661 232961.4544 217886.6844 219211.5415 217559.8082 256869.2825 233292.1492 242261.3192 241456.1951 223560.4874 247706.9071 245918.1130 216890.3947 249382.8801 232203.3216 227810.7065 244313.7184 237736.5505 247844.1369 278215.9596 204166.1073 202689.8112 227378.1053 248069.4088 241034.9149 248329.2698 245723.4466 279255.5755 malate Malic acid 630164.7926 601559.4685 642511.4143 646071.4279 608094.6095 577361.6989 616637.8262 599107.3096 613493.2692 669326.2867 606609.1532 621256.7740 598151.9002 571227.5431 602269.6050 566522.9271 581288.9995 591631.3536 622267.6691 172590.8317 173485.4141 170232.8718 173620.1288 172376.0757 172121.6332 164507.3038 603425.4573 609645.5611 596053.1884 607997.6929 28352.3612 26725.4400 28903.0385 33481.8433 12521.6091 13252.6645 12905.2349 14746.4993 10342.2437 9017.7131 9989.6709 7917.3369 687362.6910 630366.6327 655730.5875 598507.6597 649521.2090 639712.6533 572562.9233 618502.4882 617282.6184 611275.7906 650698.1123 582201.0707 672813.3557 662972.9933 558199.6912 548733.8914 626538.1692 627149.1281 604748.8828 611631.4040 561765.7333 642265.8544 709741.8478 608848.0281 609830.7889 635315.8100 623271.1738 651563.9216 647916.6417 658842.9473 602062.9758 607542.6507 625398.7960 676037.3233 665416.8272 610389.6162 622249.2598 595035.8675 614222.8997 maleate Maleic acid 3988516.1882 3791555.6461 4430754.6331 3660486.3390 3829062.5067 3654381.2352 4187188.0892 3963746.9354 4879927.6324 4723762.6001 2848176.5322 2963049.2535 2807205.0245 2892948.6897 2834048.2005 2808082.0727 2852421.9386 2705769.9142 2791755.0042 990560.5274 1032775.9940 1169811.2484 1169845.6432 1000398.6684 1028916.9164 1069762.5766 2939348.4267 3103663.5951 3004101.2825 2701702.1957 86000.7333 94068.7469 76723.8467 73732.7351 158779.6816 154244.7289 151482.7768 149796.1715 113866.2211 116831.2066 103770.6170 107897.7912 4699497.4980 3720359.8577 4009639.6290 3646371.2037 4959678.4799 4637264.6514 4644108.9239 4341455.2100 3687518.1002 4022214.5796 5053791.4166 2564732.1784 4717480.5071 4591320.3024 3533913.8192 4087325.3595 4050052.0032 4685673.0097 4301247.6158 4169407.0339 4260525.6548 4279948.2271 4108593.5188 4142125.0006 4953452.8905 4417980.6847 4233883.2765 4704702.8559 4367329.4310 4059393.8573 4255349.3714 4822647.2288 4573321.8100 5054143.8615 5112988.5012 4857760.1210 4142457.4214 4836147.3139 3842236.8064 N-acetylleucine N-Acetylleucine 23201.7778 15350.5914 18818.3912 15769.5613 15001.8179 18269.4210 18734.4240 16685.6767 18499.7612 17131.4993 16223.6114 15776.6183 14286.6854 16898.8681 14649.8267 16912.1933 16087.9958 16603.6780 16022.0526 4066.6387 4713.0856 3982.1210 4257.7122 4097.5520 4716.0590 4728.1730 14729.8630 15076.6299 16515.5019 15699.0537 2512.2241 2284.2265 2717.7815 2338.1723 4485.2118 6004.9678 5517.3437 5871.5159 4854.2304 4757.6604 4642.7679 4953.8334 22877.3470 20658.2095 21523.5727 17306.8772 19566.7958 16863.2245 18177.5498 17241.7852 16595.8409 13994.1836 18652.9785 18401.4624 21360.2528 18136.7770 20683.0098 16609.8213 16859.8363 15764.3521 16340.6385 15915.0127 16140.7325 17462.1168 15092.2837 16523.4584 16763.1029 14758.3400 13851.3326 19296.2035 14421.7371 18666.3302 19764.9210 16634.8965 15102.7885 15574.1638 15711.3334 20222.6856 15457.5543 17468.7002 16868.9245 N-acetylphenylalanine N-Acetylphenylalanine 9124.0038 9831.1586 7235.0730 7574.0233 6804.7074 11396.6600 11803.2552 10327.8245 10459.3728 11296.3324 8305.6780 8376.4331 8359.3942 8394.9062 7056.0179 7983.4774 7203.2732 8790.3820 8423.9321 2355.1431 1998.0859 1830.2550 1645.3026 2080.1988 2184.3557 1599.4343 7414.4577 6764.8872 8542.4812 7012.7384 2263.5595 2247.9401 2016.6844 2413.3454 4124.7851 4006.0367 3784.8129 4320.7028 2892.8822 2601.6543 3001.7992 3555.0208 12060.7905 8359.8291 8752.9540 6463.1162 11203.5255 10041.2114 11472.6018 10091.3774 9575.9273 9412.7269 9601.7729 6602.9562 9860.1071 11157.4987 7020.9187 11668.9640 8473.5588 9613.6439 10252.5847 11017.3971 10921.0421 9202.8839 10029.2820 11240.5568 10812.4969 9657.3758 10343.6611 8163.9919 9422.3327 11346.3742 8778.2973 8992.7942 8016.5776 11118.5103 12798.5197 12122.9953 10161.4161 11084.5098 8770.2434 N-methylaspartate N-Methyl-D-aspartic acid 24321.7305 26233.0643 21783.2191 30563.4077 15307.0214 38770.9357 21828.3394 18047.8835 33245.9012 30312.9307 15937.3836 17213.8943 20022.9089 17349.3841 18032.1549 16587.7081 16910.9798 17133.3781 16995.5448 13429.9932 15295.5903 19417.9726 18670.7382 21917.4288 16190.4297 16063.4443 20331.0833 20314.7922 16458.0804 15156.9672 2328.5760 1721.7248 4585.7091 1507.4394 6598.4924 6626.4716 6137.0852 5386.3420 1292.8729 2015.2768 4069.1009 2313.6084 35163.4826 7803.3266 18391.4565 20872.0447 27019.1549 28032.9667 35417.8017 18361.2277 25207.0784 19029.1290 33117.1918 25710.1270 30645.2172 25986.5179 11367.5119 31264.4297 19206.2472 26276.9991 24853.5695 26244.0626 29417.6891 25146.3077 32503.5188 31822.2325 28974.0878 24692.0226 28634.0487 27412.6904 29677.2054 26024.2571 13193.0815 32083.5588 21753.3031 35098.8643 27518.2041 32253.9596 28006.9035 27855.5672 31505.7422 omega-muricholate omega-Muricholic acid 143762.0423 1574.8666 3497.4060 14972.4679 13496.6997 5462.0644 11757.9221 3315.7113 1789.5447 2030.8012 109727.6147 112154.5251 109276.0164 111114.8157 115624.4267 109241.9667 112408.1777 115657.7379 111936.6380 51526.2198 53133.6429 50612.8535 53393.0617 55369.4299 55199.3288 53348.8452 110762.3155 111188.6933 111261.5660 113695.5062 1626483.1364 1639619.7858 1634956.2290 1629152.2945 321926.1451 312570.5773 303143.1495 304292.4359 597637.7894 594888.8856 590693.7442 595922.7527 2239.8135 1687.8646 282149.9086 111989.3795 124554.2220 2371.5425 3265.0515 1516.6017 5626.6405 941.5859 2427.0050 20690.2642 256074.3142 6476.7346 18227.2611 2259.2771 1983.1267 74088.1698 16515.9778 7770.0891 7593.5935 7978.1733 18250.3984 3259.3699 2182.4192 1445.8136 1363.3609 2160.5898 1442.7644 4328.4615 3567.7395 1899.3021 2209.1024 21069.0786 2210.7084 13223.1367 1770.9228 1892.2488 7433.4973 phenylalanine Phenylalanine 434295.0718 392996.4059 395175.4853 432485.9209 322020.0863 595711.3431 467035.2857 455283.5148 435421.0112 496590.3251 424727.6814 438708.6579 419090.3583 415151.7081 409213.7686 403458.5619 404189.7575 406741.0846 411714.7392 136497.0461 126174.5064 126337.0523 126631.2546 131443.3839 127843.2145 128603.3304 414135.2847 413919.9748 407474.0060 413907.4158 273538.4931 260755.0510 248506.2983 256608.1345 374616.4346 369455.8073 356501.9265 357582.9050 337144.2367 321533.1993 320632.0386 311839.5614 443476.0355 423445.0602 367401.4890 358903.5145 439094.9661 496401.0368 451214.0884 443516.6434 397594.3961 397564.8806 457086.6853 391668.4387 473677.4005 452455.4445 377532.4185 395337.9014 458559.6809 406417.7412 441052.2646 426118.2582 408154.9322 418375.0872 424654.2792 409334.7390 404114.9758 433394.4643 454811.0906 428365.7448 424558.4223 402363.2878 381870.9589 395012.2993 381263.0179 391853.1845 474627.6941 459496.3476 426750.1459 454234.7685 461041.7053 retinoate Retinoic acid 77935.7745 38643.6763 43334.0196 64336.2364 40102.7526 64471.1448 45341.3933 49450.9055 42529.6685 62039.8100 20421.2857 20569.3286 32607.6528 36266.3652 12632.4911 13385.3501 25296.7298 25633.3060 119922.1864 149566.3390 161646.3051 173860.8166 175464.5240 177096.8283 185987.8459 189958.5322 188106.1260 51767.0755 55011.7298 61560.4345 71953.0799 72747.4231 73730.5084 71647.8634 152638.6083 175962.9896 182788.6190 186661.7644 72200.7543 71112.1207 87012.7853 88194.8330 51073.8031 49185.9731 62649.6779 62881.5025 46071.7710 46204.7918 62595.5063 61611.5946 69628.0555 68768.1532 71428.6397 65399.3549 51874.2858 40297.0726 42766.2106 47490.8581 70419.9682 48752.4821 34611.4014 73558.5207 45791.6220 149880.8380 46060.1807 40992.5565 42617.5620 282215.9262 116438.4533 47878.7668 79469.4966 54301.7767 39470.2644 72590.3130 44501.4961 60046.9750 67199.1422 49695.4654 35439.8033 56295.5608 40986.9971 43032.9115 41892.5351 33396.4914 251355.8818 43098.3014 41595.4733 48875.6996 62376.4885 S-allylcysteine S-Allylcysteine 612970.7971 362290.5842 666481.8458 303777.7007 425749.5986 32624.7147 608393.3023 433279.3823 166908.2764 161332.0527 374426.0340 395071.1072 384238.0909 353715.0359 353907.4954 353346.8842 359206.3065 352702.5807 331108.2566 135902.8525 121041.5563 112696.3836 99721.8209 105725.4116 93420.3967 95684.3916 401448.9118 344313.2743 367775.0981 326355.0710 1999.9673 2190.4591 2550.1052 1657.1524 11240.7502 11769.9108 11680.2491 9652.2810 2481.6305 2304.0493 2836.2729 2351.7347 29260.1524 267318.6551 315491.2644 311717.6325 204130.0802 503251.7229 63892.6064 338660.0079 286125.7385 425954.2075 227679.3268 156954.9313 99026.2690 101810.5773 243552.5519 206698.2247 396767.0067 109470.6208 251944.8912 222057.9400 250503.7244 247733.6495 254076.6209 275742.4490 267156.3830 418029.3236 289178.2062 355779.8026 312586.7305 379042.4120 620126.3491 186748.4920 357130.8844 106656.4566 124577.8017 76455.9830 298298.7199 382443.2285 286388.7363 serine Serine 30436.5808 32371.8326 32047.8214 33711.4822 30026.4215 28363.9566 31159.0053 29518.2637 30729.5477 25933.8748 906.0296 1270.8230 1474.5020 798.3992 366.3757 250.0315 217.5986 361.1123 28981.7297 29084.1111 27642.0787 29192.5803 26511.3667 25285.4962 26042.4051 27353.7054 28122.1270 32387.9126 31156.2190 28797.8458 31020.9071 30015.3901 32642.3343 33632.9314 27644.9426 27895.5574 28227.7759 28172.6091 26558.0796 24503.1058 25095.9780 26290.8356 24984.7784 26296.2074 26479.4076 24581.0110 26834.5203 26215.6079 27243.9272 26689.3701 28706.3862 35662.9011 33835.5678 31361.8112 32729.8124 28633.7637 34356.4895 31965.0009 29556.0428 32253.8041 32940.6924 29771.6971 32717.0656 32991.1787 33769.5643 29369.3899 34309.3245 32088.4150 33312.6314 33369.1564 31443.5338 33806.7432 32162.0738 34867.1939 31034.1169 35135.7846 34250.7661 30028.2804 30959.4553 32473.2521 33136.7510 33196.6674 33342.5208 33774.7783 33444.1838 34179.2954 28461.7354 32101.4300 27665.6266 sphingosine-1P (C18) Sphingosine 1-phosphate 372567.2295 566407.5037 361959.6820 299687.9015 680078.9209 307395.6230 509904.2517 455354.6039 465333.2836 360323.3231 13164.5037 9770.8550 113026.7254 58289.3289 30150.9514 17655.7210 34194.3213 29080.5796 298849.1832 295962.1467 312102.7712 284885.8172 289160.9728 285833.9379 288975.2185 285997.5000 281168.1491 184497.2197 201593.1015 189630.9818 202283.2622 202036.3584 206263.5685 198043.1672 300094.6068 278919.4854 291264.4653 289530.3457 41455.7831 39330.1160 38185.4718 35477.5102 176217.3478 101123.4401 67221.1311 64584.9643 93562.6012 86464.9813 68746.3837 73546.0978 654389.3725 602797.9386 403071.8005 434552.0671 608991.3658 584627.3467 467297.2550 654893.2714 465501.2391 621791.9530 515090.7208 185563.2494 655920.9626 527811.2381 536307.1460 606689.0035 433370.7898 700024.7821 530871.6328 647951.6240 686420.9730 394414.8248 650731.7453 605350.1300 619521.4273 652452.3333 488654.7518 523422.9413 534051.9504 377272.6120 426913.2823 409690.6075 362792.8729 703407.0186 574952.0214 401764.3937 496975.6755 495263.0160 249240.0077 succinate Succinic acid 370534.0878 338796.8802 382889.6829 367250.1556 323650.3196 408678.7576 382716.0380 360518.8993 376358.0118 429033.1828 402461.7358 351748.0243 336500.1092 360737.4888 378323.3464 348267.6813 337431.0859 335068.8182 361954.3660 93431.4275 99225.4685 106554.2799 106956.1157 98417.7477 96274.4628 82044.0351 350632.3715 374762.6591 339198.5383 366907.5182 70659.1598 70765.5788 71650.4966 70557.9502 89483.3622 87039.6245 86227.1854 87167.1457 46146.0223 41336.3964 43877.6138 45351.4110 402612.4998 363429.1123 342385.0167 312227.8693 367698.1171 400930.5963 406395.5978 376080.6693 370653.5152 378884.3524 381163.4962 327849.4674 387921.1483 354582.4854 308767.5124 345128.4912 364514.3089 384629.3440 345268.7977 356052.0601 377174.3332 372270.7938 365072.6976 360463.6288 351671.4644 367822.2573 360275.6569 373419.6135 359000.5689 380048.6990 315298.5004 359945.8470 405569.0298 365268.0963 397302.3627 378530.6846 388141.4558 360004.1910 428564.1724 taurine Taurine 3564540.3860 3508046.2079 3399372.1492 3750237.0843 3668323.5709 3629356.2704 3519662.7304 3656308.6325 3532462.3473 3592239.2568 3443.3573 3458.1145 3064.4403 2801.7784 2286.9504 3289.7507 2277.9421 1877.7769 3593798.1295 3347707.9351 3265177.5911 3269631.9854 3320625.9549 3268716.3812 3385491.9187 3347730.6176 3366470.9049 3403746.2598 3388755.6591 3281599.4368 3371471.6387 3431828.5947 3394784.3062 3355976.0075 3440857.8843 3309618.9605 3368756.8608 3323809.2484 3116700.9515 3082458.5080 3081618.0623 3110600.8058 3572197.5163 3558792.4519 3605793.5021 3600082.0526 3441009.6855 3479833.8559 3474215.8177 3545938.5589 3506852.4446 3844343.0469 3743686.6905 3610903.1606 3465394.6062 3593669.7231 3691401.6795 3624075.8860 3687611.7871 3635289.0419 3392756.5002 3929480.4456 3524747.5186 3410409.3016 3498916.5885 3497482.8133 3460324.5004 3521758.6609 3516989.9951 3442460.6296 3420266.0158 3613753.4367 3533822.8832 3653672.8170 3152667.1714 3405051.6999 3436582.9298 3527564.1347 3332975.4390 3470001.5345 3433968.5280 3432513.7055 3596561.9130 3051678.2400 3170394.2690 3318097.7087 3357945.2702 3265591.3246 3451616.6373 tauro-alpha-muricholate Tauro-alpha-muricholic acid 31623.5620 15420.1801 33445.5817 10522.4609 59573.5296 29550.0262 36194.3042 15098.3304 20711.9212 49182.9997 33353.9874 31295.5998 35747.9374 35296.2034 36781.1022 35977.9339 32270.6901 35435.1380 29253.6544 23516.3925 29963.6099 33655.6610 31447.5166 31764.2641 32026.2483 32523.2451 32814.8103 34127.0950 35235.1100 36898.4036 59939.2833 61313.3343 59738.5026 60531.7564 101714.1666 103347.2774 98737.8751 102454.4177 108792.9006 101877.6364 102017.1051 110032.3333 25047.5510 20707.9603 122274.3555 38647.0615 57203.3319 9262.3775 12247.8071 21975.8616 13030.3895 6479.9761 10145.8516 17598.5163 34668.3541 16985.0553 53591.7264 19965.9767 12182.9057 16743.2816 39877.2533 6792.9640 53261.1059 27772.8167 7291.3018 28253.1000 15427.8584 15506.6071 7531.4341 13498.6689 21059.1197 17527.8562 5136.8682 18723.6458 18153.9994 13760.0149 9954.2238 15039.3731 19629.1657 45632.9956 10201.3545 tauro-alpha-muricholate + tauro-beta-muricholiate Tauromuricholic acid 79853.5039 36746.3389 91817.1237 30270.9264 190591.0600 114648.6635 236366.7195 66944.0772 117386.8204 300882.8739 103531.0596 96243.3393 105618.0859 101642.1656 97019.6137 96194.7336 101347.1188 104905.0308 102829.1137 93951.8210 91900.1905 95377.2836 92690.7462 98067.2878 95259.3864 96904.3758 98442.4020 98812.8532 100774.4224 97851.0069 58463.3462 59019.8334 61219.8588 61081.2320 592472.2017 602761.0231 664629.4926 649693.6385 301670.6825 304446.0264 325377.6027 335130.1133 84777.5444 66875.9448 326397.1298 80831.8701 135243.5277 52489.5535 63604.5921 150671.7630 69375.9145 22631.4672 29396.8574 43557.3407 70427.1130 35789.8629 115739.8327 109416.5387 43222.2362 78815.3727 278289.3260 26272.4604 140096.3976 76081.8517 17021.0767 62829.1001 65598.9049 105970.5241 28601.9362 59518.8287 129836.2279 42298.1400 11763.2810 35553.0372 38995.5023 31048.9202 41263.2114 41036.9248 129708.5335 266114.6298 40957.6427 tauro-beta-muricholate Tauro-beta-muricholic acid 52004.3664 22712.9779 61048.6275 18543.1604 127867.7408 92343.2723 231737.7074 60947.7245 106536.0234 276957.4630 67250.6081 64075.0924 66522.5334 67068.2793 65762.5199 66202.5612 62435.0443 66381.5732 69691.1535 33284.6637 30266.5034 30950.6289 31798.8287 34167.3056 33435.7050 31396.4689 60198.6899 59411.2189 62657.9626 53039.3103 41054.6495 37492.2759 42364.5393 42453.1568 527932.5326 527807.3107 583305.8612 536534.2259 152421.6540 153585.5926 181087.7110 179189.6899 91733.4344 40889.3777 210902.3341 36451.4687 89524.2019 47278.3579 60964.8122 128542.4491 65866.8439 16397.3566 23718.9050 20345.5247 35614.3503 23327.2084 54219.9181 108427.5702 30180.0579 65066.8550 291108.9352 21372.9073 104940.5621 48223.0313 11535.3192 43013.7823 53713.2933 89645.0921 23864.8388 44170.6169 121047.7110 33731.8315 6922.1815 18904.8232 20919.1165 22585.5627 39601.8219 32282.5294 128301.3630 264754.3296 33772.8316 taurocholate Taurocholic acid 361736.0471 120434.8358 332412.3152 103844.1073 827459.3577 231738.2801 887395.8492 200559.8516 323224.1990 1129519.1331 349743.0515 375834.2451 357137.6078 389340.6115 397123.6539 382698.8390 401409.5456 396990.9259 372741.1268 354718.5370 378707.9446 398166.2429 395533.7949 407151.2264 415533.7373 411567.9731 356302.1604 381077.8049 384649.1075 377406.8845 154949.6776 159028.4543 164984.3579 157773.2531 2424595.3596 2244896.7972 2243556.6819 2251046.2795 1028413.8568 1012084.0209 1075533.7449 1058392.4046 457728.5410 232774.2191 1231518.5619 267934.0046 701583.2847 138568.8669 196048.7717 337965.5211 198883.6915 40485.3599 107533.1026 178691.0546 296810.6664 127192.7423 591192.4706 231042.9922 82410.3246 293573.7258 784875.0779 55740.0331 619902.9250 384842.5220 57002.0436 269916.8510 154313.4357 219703.5655 67242.7189 143127.8504 320962.7648 153309.7684 33478.4485 100892.3298 119871.2293 93064.9878 56012.4271 69364.0727 277131.0134 623791.5484 85106.2915 threonine Threonine 5483.7057 3576.0663 4093.3881 5117.9819 3552.4822 3487.5272 5306.5136 3989.8882 4183.7306 3113.8988 4121.5655 3989.3233 3830.6709 3940.1245 3858.5963 3515.9486 4106.6424 3000.0733 4026.0713 6559.1630 6913.7973 6553.0448 7200.0004 7411.7334 7030.1875 6291.2327 3606.8451 3142.6944 3386.5321 3882.6454 22020.3222 21631.5319 26381.0666 22849.3992 20621.9039 19555.3566 19599.9749 21538.1704 21127.4479 23792.7310 23482.9894 23958.3336 2976.0013 4730.3234 3883.4506 3349.0785 4557.7191 4214.8708 4264.8391 3427.2719 4067.9026 3144.4557 4350.4062 2521.9508 4215.0220 4023.2046 5230.8028 2829.2531 4334.4757 3907.5141 2942.0192 3852.4422 4006.5382 3818.9133 2386.1725 4665.0560 3616.2205 4115.8700 4050.3921 4520.3548 3153.5116 3441.0021 4480.7442 4420.8890 4331.6300 4607.3207 4053.6461 3667.1863 3869.6464 3712.2573 3595.5211 tryptophan Tryptophan 357984.1560 388826.8767 390352.1246 378597.3832 306424.6470 418976.8123 378221.4533 355899.1381 366518.8467 319911.9180 353803.9437 336837.1306 334816.6022 329186.6016 338316.2625 342838.6843 342888.9911 337098.3297 345326.6429 485354.2196 489153.4783 479089.7601 484996.7701 507075.3162 514297.8710 492954.7356 342191.3892 330536.7254 348660.5022 344550.7246 215097.3303 217838.2774 220105.8371 218007.6830 724715.5158 728277.2897 749898.4587 745124.5391 508888.3786 502205.8710 521297.0985 524767.4420 381791.6615 364393.3654 380796.5324 309200.3778 400751.8316 362646.6020 361270.0813 308024.8284 280775.9622 293033.4743 419976.6348 353647.0947 475283.8642 400938.1677 381818.7727 284169.0435 344854.9669 316505.9159 296942.8383 326063.7533 355650.7104 345587.0318 343837.5037 328523.6104 324318.5533 337460.5328 309616.1501 312920.9279 303683.8151 362889.4231 328070.5823 302983.4412 319585.9714 352640.4620 364852.2337 365440.6769 294826.5591 327445.9417 314755.7130 tyrosine Tyrosine 117268.8562 106958.9869 168778.6919 123424.1382 119991.2784 133142.6248 149570.9579 122193.8378 157323.7656 143165.0262 130968.6845 121762.3417 116799.7474 122535.2387 146169.8512 134595.6149 129410.8485 123481.8697 125142.7831 49667.8153 56145.1886 63980.8454 62501.4732 57024.4624 56365.5047 52202.8030 132402.5706 144411.6579 125862.9777 154171.3249 123702.9855 131131.7578 136900.8661 130034.0567 168272.3507 172760.8258 189991.2565 190971.6166 127434.1659 122782.6321 135015.1976 128534.5020 140524.9544 131187.0972 123428.0092 116758.7388 164850.0869 126276.2459 139317.1289 123870.3007 117252.1582 115940.8485 116532.0730 129508.6808 151428.5640 127475.2406 102843.8189 112726.3035 107036.1619 139148.7288 115216.5413 139661.9893 130448.3366 146984.6543 103245.9343 128673.9416 143369.6864 151178.0137 126118.1003 110152.5688 117786.7988 135341.7165 98446.6968 111737.7691 147491.5233 148390.9883 145417.8600 138992.9102 136690.9116 126397.1241 152963.4835 urate Uric acid 99446.1824 55962.1940 82132.2117 91170.4309 56167.1967 93603.7054 54210.3092 67248.1700 45062.2178 48353.0366 152368.6765 134897.6435 145408.4820 140065.4554 146456.2228 148778.2701 145391.3399 148494.0294 146054.7272 65214.8416 67953.4880 63065.5355 64702.1654 71736.3008 69401.7161 75395.6226 137917.2010 135806.2310 146301.0467 147097.0937 539440.6641 553402.2688 564057.5987 570868.9371 1852136.5986 1858467.2260 1945345.0263 1955948.3585 777985.2102 771563.5209 825580.3041 816826.0529 133932.3685 97299.8154 94995.0539 67332.9441 90457.2083 55766.4409 57929.8358 61447.1697 42449.6114 39481.8637 119801.6449 83444.9268 90577.3928 84198.2996 64528.7187 111122.5045 68913.6715 52419.0714 63745.9815 44079.8427 107457.1950 84070.2661 72856.5042 112266.8616 53599.0941 58183.4575 57081.7428 50769.7887 41536.5706 110727.2043 60791.1133 75940.5237 61018.5884 65756.1971 68180.3887 81015.0116 61088.5881 82888.3174 90090.1830 xanthosine Xanthosine 54459.4299 32063.8126 58429.2069 39450.6920 28090.5257 125935.7917 54655.1917 51943.6571 38959.4934 55577.8525 40865.9232 36166.3640 36575.0537 38618.6291 37976.5750 36453.8498 36391.9374 38466.9192 36119.3188 47579.7894 45193.3811 45669.2322 45906.3972 45757.7570 46051.8180 43897.9896 37175.0662 37102.0483 36440.4802 39675.9545 6826.7854 7185.3343 7012.7642 7254.6374 9710.9487 8562.0575 8154.8742 9494.3577 6670.3516 5765.7180 6770.7431 7327.0053 52721.4337 30404.8049 30103.7046 24474.5148 40193.3075 51530.7922 63074.3100 47181.5481 33368.5686 33466.5285 59489.9299 28758.2086 43451.5797 40512.2122 36395.3778 33029.3039 44550.7926 34781.1335 38676.6810 31466.1492 45945.0582 35219.5671 44989.0935 33389.3770 31450.5689 39884.0947 44419.8299 44365.7179 33473.7860 60211.8614 57567.2122 43011.7005 42339.1587 43700.2486 66812.3898 58039.7432 60875.8678 62983.5630 72076.4201