Metabolite_name RefMet_name 90245016808 90248016808 90252016808 90265016808 90266016808 90217016808 90229016808 90232016808 90237016808 90239016808 CS00000PB-01 CS00000PB-02 CS00000PB-03 CS00000PB-04 CS00000SB-02 CS00000SB-03 CS00000SB-04 CS00000SB-05 CS00000SB-06 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 CS0UMRG01-01 CS0UMRG01-02 CS0UMRG01-03 CS0UMRG01-04 CSMR80010-01 CSMR80010-02 CSMR80010-03 CSMR80010-04 CSMR80011-01 CSMR80011-02 CSMR80011-03 CSMR80011-04 90559016808 90560016808 90564016808 90567016808 90571016808 90421016808 90422016808 90423016808 90426016808 90430016808 90576016808 90578016808 90581016808 90585016808 90587016808 90439016808 90441016808 90444016808 90449016808 90450016808 90406016808 90410016808 90412016808 90416016808 90420016808 90280016808 90281016808 90283016808 90289016808 90292016808 90251016808 90254016808 90258016808 90259016808 90267016808 90218016808 90222016808 90223016808 90225016808 90227016808 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-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: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 133522.4477 210653.1962 429977.2838 132454.7679 183337.8808 325283.7657 177681.4980 125231.3500 140189.1071 140364.4286 167752.0760 157232.9065 140000.2259 165465.8821 168379.0974 171963.5332 165654.7924 158494.6173 173983.2770 890107.9597 805862.9994 895649.3116 952023.2888 743776.6901 913095.4151 918431.8882 158697.3020 138844.1523 152983.3243 137918.6342 111544.1986 77981.7688 91203.6265 99758.2335 278574.1274 226291.0012 274414.8612 241908.4323 122992.3982 123862.6879 100977.5142 83514.9852 149918.7724 114439.1539 127810.1587 165690.1950 126907.5194 296538.8064 151725.5415 109173.8536 97989.7579 96513.4643 221827.9402 146304.3916 167025.1614 132862.6232 173438.7643 205001.7792 127201.7844 102767.8437 114629.5989 102027.9970 152643.5839 124486.6774 127292.6169 101000.3248 130156.5565 138203.5648 123572.6676 174197.0556 124976.5517 143200.9210 251312.7868 134474.1220 115344.0287 103639.3474 118273.1816 116920.1728 199026.4162 193350.1060 144747.3491 216311.0090 3-hydroxybutyrate 3-Hydroxybutyric acid 375904.5946 332062.7380 587537.7878 252247.5410 443018.7755 268848.6580 121736.1521 108155.1615 53019.4548 71934.3125 269274.4313 257104.9822 272576.4111 278922.0270 284229.3566 277424.2354 273314.0023 295475.1813 265238.0248 735953.6084 773557.7341 768984.7377 779892.8853 771554.9918 754410.4089 730085.0114 258333.3865 288128.6529 269865.5714 276950.8537 58274.0799 58995.6786 62863.1496 62118.8266 259236.8350 259097.9880 266714.5526 279587.3745 136370.7445 130351.3425 141991.9301 147597.6156 468770.2167 255170.7856 487314.9715 540131.7164 359069.1944 226811.4999 125373.4171 133724.6999 114696.2892 118450.9799 628761.6765 470242.8135 388154.1676 345898.2204 565853.9204 217395.6585 132163.5547 215837.5580 135404.9043 136377.7526 283108.8482 355841.4552 241401.5778 272198.3152 333436.0951 162331.2645 142763.1397 199291.3956 158530.6647 109956.3653 505108.9618 326121.5680 346116.4159 266909.6642 316017.3719 181288.4443 239142.9533 132201.9491 136369.0867 223999.0807 3-methyl-2-oxovalerate 3-Methyl-2-oxovaleric acid 12166.1067 12426.8099 7045.7515 8421.8827 3206.2751 5432.6990 9557.6837 13076.0334 18150.8993 17679.1546 15942.7801 16509.5127 15787.0390 17716.5491 16683.7610 16515.3981 16709.7407 17474.1748 16984.8096 14052.6987 15607.8588 15482.2023 15736.1563 16318.4687 12662.5895 14672.6099 16437.8314 12927.7816 16701.1162 16602.4692 32349.7043 32007.2081 33786.2506 34202.8193 13896.8559 15752.0776 17903.5372 17434.9002 11037.9493 10277.4378 11221.6612 10349.5774 5308.8033 14021.8699 13831.3054 17110.2198 16474.1536 18648.5421 7308.8577 11880.5942 11465.7253 16249.8190 4745.0616 13217.9514 19784.5571 19520.3805 14046.1081 15431.1800 6275.8685 19574.8773 21800.9757 13485.1801 19038.9445 8891.4760 14305.8589 8449.9542 11142.9646 11326.2721 11039.7499 11853.3717 13837.5592 8746.4738 11074.8070 16213.8006 13512.6433 9514.0608 11108.5673 3952.1988 12087.9501 8747.5739 9157.3662 4625.0566 alpha-muricholate alpha-Muricholic acid 1629722.7093 222436.5396 620101.5746 286284.0853 353270.7815 109373.4459 392208.4591 226492.7215 64256.5672 78994.1385 419150.5201 412029.1772 402199.4955 430745.1478 434807.9870 426802.7402 431186.5099 458739.3234 442105.2375 561679.4629 581661.4395 564291.1006 603400.0911 593618.2071 617092.6658 598082.5350 418315.8712 421677.9187 426089.1708 437245.2278 62260.6775 65679.7320 60989.1749 67111.8189 31300.9293 35781.7336 37552.8270 38252.7208 50571.7319 56077.5351 59653.7245 67082.0065 113756.9892 49842.1414 1716738.8621 1422602.1964 554836.2470 218377.2504 114262.3539 28995.1141 81499.8006 22943.8214 65303.8072 285017.0248 2305936.0001 110131.1226 411681.7457 60158.6680 118302.0635 1166752.9849 144100.0697 158613.4945 1327029.1566 240356.4323 255832.3962 491205.8949 142521.5682 103320.5486 86503.5074 165921.0531 41892.4648 65817.7755 370271.5080 295739.5317 105254.2350 117557.1932 447089.9708 70075.8814 413542.4585 148691.7868 75851.7963 623888.7087 alpha-N-phenylacetylglutamine alpha-N-Phenylacetylglutamine 5729.2474 3491.4814 5968.4952 4030.3865 4469.6312 5498.5733 15886.7073 6178.8573 5504.2972 4219.1548 5489.2710 6509.0977 5727.4898 6107.8872 6174.6596 5832.1547 5498.4570 6146.7618 5947.3350 9602.2595 9375.2960 9990.5556 11715.1209 10222.0990 9998.4797 10603.9563 5953.0025 4068.8029 5588.6031 5687.7697 6053.1722 5181.9721 5215.2139 4466.9501 8221.3719 8142.0308 8224.2828 9256.1183 10551.0636 4915.4224 5126.9458 8375.7898 6350.7280 6983.5200 4446.5316 3734.7073 7912.5118 3985.4212 6933.7572 4489.0524 8680.0246 4991.6152 6442.4816 8259.1213 5471.6002 4446.4382 10760.1309 4291.5305 4294.0179 7892.0607 2944.9659 15699.3854 5314.2416 3373.8027 9425.1899 7565.5046 4179.2711 4436.3223 5183.1649 4699.2003 6910.0863 7565.3698 4059.0031 6113.4555 AMP AMP 29402266.2174 43471278.0604 24891822.9996 26493846.6000 21305588.7271 35351572.7829 37072977.5523 18821201.1273 15066503.2578 17967279.2330 37870446.0689 37731605.8557 38200573.1324 37251702.3073 37701150.2622 37489012.6000 38744442.1330 38529139.3407 38415979.9734 34673663.4872 34841914.7863 34144265.2119 34257623.1458 34203588.2979 34599336.4209 34677021.1667 37711170.3234 37345952.8700 38158806.1200 38436991.9719 1501283.3850 1530723.3590 1602193.5079 1595681.9081 61309514.7566 61188998.2503 57894516.9485 58275808.9170 45958995.3350 45988121.2088 43871888.6454 43974536.8183 33651631.4047 38926026.0639 72315777.0553 58138787.8029 51942567.5307 38806235.5346 24628098.4260 18433195.7528 16576334.2672 12889052.2423 59569174.7124 57720148.6486 56819567.5157 30894184.7594 71426730.8685 22280907.0542 36146343.3721 17318469.0991 17206205.8017 19949659.0451 20376498.7889 25135593.2237 18101999.9930 20077305.6223 21368323.5268 14742401.8467 17231224.3551 23598052.1556 20944870.0910 14285109.3471 30370242.8087 22112803.7898 17460724.1553 16491020.0012 18213377.0069 24587525.1946 25447080.8105 22219343.9382 17583611.8729 19102711.5558 aspartate Aspartic acid 168098.2731 108925.5495 104961.3352 130349.6473 207688.2790 85371.7128 162803.0906 106290.5830 143961.1292 90741.6947 103390.9889 109529.7036 104310.2167 104118.1513 104211.6965 100777.7836 104308.6089 107109.7228 110078.2736 268069.5296 269461.4271 257349.2450 260270.4187 244783.5794 242682.2020 233030.6224 110910.4653 109333.9171 103319.3637 110147.5451 8140.0421 8859.6610 8397.4250 9707.9831 132032.1036 125688.6401 108388.1141 124193.6879 110887.6203 111564.1150 111053.7851 109986.9166 104739.7104 96149.6671 176861.3901 174401.0296 187644.8313 94520.6613 146184.4372 106787.8390 68401.0011 103499.6020 88131.8001 136430.1776 189975.0232 171561.6802 187286.8642 99682.9971 119983.3634 196873.3477 107154.8499 126516.4684 136256.0253 103715.8006 112466.3952 104956.3733 108912.6277 76045.3551 95782.0376 107001.4579 71918.2016 81519.1227 97435.1448 113472.7910 96085.5028 98835.2018 133769.9444 91445.2452 114081.4340 75938.0935 103699.1161 97924.1885 beta-muricholate beta-Muricholic acid 621727.6534 75914.7524 256656.3282 117419.6888 141270.6121 47952.3663 218125.7804 111091.2235 28206.4619 36417.2435 204370.4099 215391.8668 218708.1556 210090.8744 184136.5504 204146.9530 224909.9090 218396.0225 221282.2051 273542.7442 242809.1652 230656.0497 234675.0998 248129.9865 242283.0272 245213.9566 208354.0849 206313.1570 218834.6025 197214.9401 21490.0949 20207.0807 16630.7672 20812.4689 13112.2560 14601.0610 14179.3193 14615.9486 78596.0985 79795.7170 81579.5368 67532.7006 40969.9417 11155.0308 792693.5188 422804.8100 259132.8462 113520.3786 57559.3499 11655.4832 41350.4229 6831.4319 20654.4028 158769.1380 779718.0368 42677.6421 278749.0953 27796.0944 47859.9865 772971.0923 81558.2601 85754.1904 666604.2532 81735.9478 93978.2798 204783.1167 52129.6835 54819.0235 40726.4960 63203.4140 19841.8608 32003.1131 116103.4472 123979.2457 41054.3892 47012.5716 174265.9939 37979.1906 206263.9125 71811.4212 38813.0639 373709.9347 chenodeoxycholate Chenodeoxycholic acid 77855.1678 2905.9579 85192.6726 23441.0267 8013.8572 2742.5568 8835.6750 4122.3540 2734.1649 3207.7434 68159.4707 71899.7811 61779.5503 66335.8233 68028.2436 71831.5562 70577.1957 69864.6161 67918.9756 91813.2755 87188.6147 85959.2106 84688.8901 86591.9511 86423.4165 84886.9803 70331.6471 71164.0796 68374.8923 68470.2429 125935.7675 121400.7197 109670.4411 115016.5183 3687.2186 2538.7902 4497.8258 3069.1138 5809.0435 7247.2184 5556.3765 6234.4438 4231.3436 2317.8875 319403.6562 269820.0006 171713.0361 3101.2726 3681.7717 2428.8174 6666.0545 2255.6393 2833.1064 218648.8925 1065503.4531 3861.3776 362593.3689 2218.0057 4302.6495 108995.5666 4645.8122 4134.8872 90678.0703 8184.3001 4616.2911 18551.7261 2441.4360 2447.8916 4037.2014 1948.1228 2457.5817 3083.4740 3238.7553 2846.5131 2284.5812 1176.4924 14263.9696 3613.0998 7982.5184 3320.2310 2248.8660 17153.2298 cholate Cholic acid 1186788.1339 25765.6091 64358.4981 57270.7159 36233.8371 1095.6611 1134.7973 254591.4998 224078.7100 291279.2774 278899.9147 264697.2472 209085.3792 278072.0066 320250.4392 433700.5312 129486.1913 150172.4398 146601.6886 138138.7677 134082.8404 124779.6708 154219.2560 247146.7541 283765.3867 252684.4092 284458.3800 346263.3883 409678.1917 376863.1511 320631.9017 97130.9308 112919.0800 129331.6064 111321.8066 227365.6098 224561.4387 233615.2892 242486.2484 1837.7547 1161209.0594 2194792.7787 735293.6507 1961.7383 6927.6294 31977.8374 8321.2660 228892.3206 2431437.1912 8377.8295 153857.6153 19767.2944 1009304.1894 34762.8556 41085.8268 477632.8811 28027.0237 16590.3629 149884.2181 5043.1430 40385.1945 1972.2215 771.5637 117097.2308 1278.6813 47247.2743 37239.0955 cis-aconitate cis-Aconitic acid 15248.2300 7592.4130 8363.8993 11198.5918 7695.8734 7619.4204 9819.1080 12398.0579 9908.5032 10515.0913 9538.3551 9115.1454 8860.3488 9017.6349 11810.0104 10092.2621 8813.4145 7367.0829 10471.2517 11281.4036 9745.3177 8822.0332 14522.2027 9743.9231 9045.2129 8684.0229 10743.4371 6990.0934 9998.1358 8466.2864 5490.4230 6239.1988 6591.9076 6065.5855 12996.3533 19476.6195 17735.8826 22212.1252 15028.9724 13201.0820 14156.8442 15750.3678 10131.0483 10898.3787 8504.0893 9361.6008 12021.1602 9654.5368 15993.5579 17671.3060 6696.9735 11915.6101 11090.3853 14629.8841 10789.9199 14080.4136 9934.8718 8198.4563 13049.8595 13915.5792 8657.7762 10367.5120 16233.9650 9478.9561 7293.0509 7556.8526 10895.9644 11537.5519 6780.6180 14839.5403 8309.1680 9212.7554 9508.4210 6847.9131 8781.3312 7614.9763 7072.7168 9948.7966 10646.6228 8326.5647 8063.1495 7380.3732 citramalate Citramalic acid 8661.4081 9761.3939 8330.6995 12998.9650 9571.2246 12990.1839 6979.3073 9471.1585 15026.2881 14475.5495 18065.5781 13880.3471 16142.1433 13509.0702 17422.2418 16123.1845 14058.6214 18814.9497 17251.2312 35246.0259 26287.5279 17852.2155 19394.6399 25486.4896 24573.6453 25685.8938 32969.0643 25940.5621 48857.1249 27460.5008 34942.4457 42662.0952 39109.7792 8916.8780 10379.7352 7216.2741 7927.0485 6984.0494 15386.2426 17563.4488 26189.6233 22139.4625 12753.6060 13845.2030 12081.9323 5897.4721 10856.9209 8310.7178 21371.0356 16899.0213 11493.8610 21155.8885 13877.3047 11907.1496 15090.5238 11854.2565 8927.1583 10710.1928 22806.7234 78454.4030 10585.9529 23141.8969 18855.9438 9095.5505 9688.9112 21453.0917 10830.6216 25914.1235 16261.5400 23201.7267 30093.6791 42658.9841 citrate Citric acid 468894.6740 528353.0275 381122.1952 623128.5661 487497.6814 295175.4992 499581.9279 439902.3391 447222.2246 435997.2516 555551.4108 520362.8388 527587.1664 523156.7352 525743.8628 519184.5003 545798.6034 515128.1879 533652.5685 604621.8084 585150.9613 576434.0169 514203.1307 497036.0081 523640.1728 586403.7113 514366.5401 508792.1155 532930.6482 522935.4253 784005.9926 751501.3478 691208.7719 690677.1392 630923.6594 734511.5958 698776.9614 683606.4565 579395.3034 482017.6422 466568.8206 548108.4097 526281.3271 652266.2814 541943.3539 525051.4586 593571.8704 556463.2212 435722.8602 487924.4752 363785.8465 498439.0791 560544.8230 559245.8187 573749.6034 521545.6720 608593.3091 436815.5277 462048.6953 589299.4399 468100.7191 405646.4540 543540.1342 490511.6386 524746.2071 457732.8153 383859.4734 391753.4300 399194.7687 513396.2889 391838.0945 371594.8173 445845.4851 483906.2135 526055.6634 561049.2408 519294.4237 340721.0838 454073.2804 379797.9784 323124.5126 390886.0430 deoxycholate Deoxycholic acid 238427.1274 80814.1838 151159.4137 121750.7349 199801.9392 24246.3333 109420.5322 76275.1135 19534.8434 28558.9202 228380.2259 239365.2255 232117.1341 231769.8693 242370.5766 229367.9961 241346.1569 252079.3952 246218.5242 173982.1550 162727.6660 160686.0397 180795.9652 170230.1430 171188.1374 168343.5356 235495.6893 235155.5935 232529.7395 231425.2626 67464.1491 69347.7194 69968.8140 69745.2544 14979.3362 16586.0431 14416.7065 14816.3300 15081.8467 19020.3266 19419.6509 20498.3789 180445.0797 110267.8807 901897.5780 975873.3574 542368.7329 81662.6931 58429.7190 103791.7797 26684.2310 26620.1579 113230.2519 258466.3115 1221444.0121 145800.3801 641229.9719 76095.9483 62320.9763 245500.9348 112317.9414 85211.7526 339890.5005 112796.5502 106457.6937 179640.7831 39893.0090 78509.6422 49761.5144 149029.9784 30938.0562 48492.6431 133941.5868 203792.5323 33670.1975 41199.5602 102973.9166 46115.5156 173507.1220 55987.5867 35316.2253 129316.6202 deoxycytidine Deoxycytidine 1407.4315 3330.2527 1294.9277 1801.9668 1482.6630 1738.1681 2590.2506 2669.9863 4607.2261 5817.7197 2360.5728 2666.4286 2832.8042 2799.7148 3080.0504 3244.9299 2621.6197 3317.3071 2389.1110 3320.6242 3942.2342 2711.6530 4469.7834 5091.9033 4709.2819 4268.0541 2771.7590 3101.2267 2780.4919 2676.6726 7232.6787 3946.2469 4763.9710 6231.6513 2412.3829 2806.1675 2440.6795 2842.3799 2841.1925 3423.3406 1659.7775 1396.6579 1755.0733 2545.8252 1399.1117 1571.6998 2927.9693 5565.6188 3681.4520 4027.3258 3885.8493 3438.7621 2692.9867 1497.8501 2891.1142 2980.9288 1779.9336 4581.5810 3192.3796 3020.6437 4486.2203 3846.7423 2729.5978 2451.7731 2634.8554 2044.9445 2959.5032 3110.4681 5666.0748 3483.0212 4522.1212 3443.2705 2341.8094 2727.9286 1335.7151 1866.4278 1780.9716 3505.6225 3133.3605 5355.6268 2911.3587 3758.0501 FA(10:0-COOH) Sebacic acid 17676.9121 18954.4553 23518.8805 21180.5559 25619.0711 13236.8856 17778.2094 14356.4190 8702.4306 8898.3666 7321 7183 6158 6985 6634 7766 5317 6645 4441 26111.5685 29944.3189 27736.5659 28538.2492 27043.9677 28109.4264 29350.4428 29393.3720 27808.5303 89820.4595 91648.6727 88285.3203 100672.7848 89007.8017 102011.0522 96809.7392 29363.3375 28458.7441 28886.3470 27376.5252 11592.7838 10897.3452 12108.8684 10727.7935 15782.1912 13573.7026 15886.6810 16692.0464 11047.0170 10899.4907 10148.6251 10362.1042 19601.5902 21574.8911 33864.3745 35706.3970 24353.5314 12685.6016 11414.8299 14304.1118 13323.1459 12674.6564 25338.3512 19443.7809 32694.4519 27349.5767 49369.5297 18774.5641 15710.3899 11520.8044 13498.4315 11135.4269 18619.4603 13068.2307 20636.9099 18777.6810 12845.2916 11342.4311 9389.3176 14022.0452 11111.8472 8437.2767 23993.5471 16008.5661 15821.7352 16515.4080 16434.5252 17122.6023 13595.1260 12862.5955 7262.4621 15120.1303 FA(10:0-OH) Hydroxydecanoic acid 6471.8472 10859.3588 6128.9693 11481.0994 9711.0288 8476.8105 9151.2710 15299.0523 4882.0385 8264.9879 16241.4129 14900.8669 16093.7273 17537.2201 14469.5737 16436.3419 17153.5034 15540.1722 19617.1272 19816.7581 15405.7742 21520.0289 20064.7813 20211.6833 15316.2929 18161.1152 18624.6725 16172.0596 18844.4141 19220.4808 6758.2508 4936.1559 7667.8489 5363.2358 7678.5874 4927.3827 5393.6907 6043.0842 6992.9206 7021.9162 5511.5107 5951.5920 9102.0565 8246.8427 9751.7475 7420.6132 10535.3848 9716.0379 7082.8306 7158.5673 10568.5388 9731.8461 8614.2736 6380.5050 6562.9173 6422.3081 8046.1614 13514.0214 11819.6375 10953.2690 7077.6595 9975.1772 6951.8099 6185.3175 6688.3172 9413.7579 10023.9527 8294.5089 6806.3515 6996.5407 9488.3427 4692.5778 9647.3563 5009.3519 4649.4101 9230.1719 7174.7039 9265.8668 10317.2356 7763.4264 8593.4476 5279.6305 FA(11:0-COOH) Dodecanedioic acid 13460.6275 13296.0554 15913.1063 15462.5194 14454.3796 16006.4857 13310.6637 17718.1462 8948.8529 11083.4138 11476 9137 10251 11986 11191 11080 10287 12019 11793 34554.4923 30077.8064 31284.8048 32258.9357 35910.4512 33561.9930 34564.1015 38754.7684 42649.0811 42154.9004 47704.0078 44348.3101 45046.1950 43091.7080 40855.5101 47161.2260 33217.1993 36427.4363 37838.9906 35588.7147 14777.3391 14948.1333 13614.1647 14994.7938 17150.6959 15779.7302 19142.2948 17501.5015 15324.8866 18263.1268 18291.2764 18033.2652 21463.9193 17985.6589 20276.9959 18952.1443 22202.6960 14545.1912 12077.5509 13169.1661 14764.0258 15665.7269 22818.4720 14246.0329 29293.4794 21414.1742 19723.2658 16398.8853 17933.3855 15510.7127 13410.3022 12348.5558 17983.4464 15032.5139 22108.8931 14233.4133 11235.2241 16573.8449 14506.7037 14634.7041 11346.2274 14089.2820 14058.5750 16469.9481 14196.8988 18084.8251 17278.5688 18731.9248 12755.9937 16167.8781 12260.0972 13325.4735 FA(12:0) Lauric acid 18740.5221 23309.2054 22968.9938 26349.2455 18430.3491 24931.1429 25947.6515 24347.4326 13425.1406 14307.6619 7137 7537 8625 10937 5147 5774 5179 7080 7426 51255.2479 48998.8545 45787.8282 46868.8648 45334.0665 52790.9451 51498.3183 51661.9981 57548.9374 87538.7328 84859.1103 83598.9827 79686.7691 85903.5128 83255.0136 80489.8770 50579.5493 48689.7151 49480.4241 52588.8673 14333.4108 12579.6770 14745.4579 14261.4778 24773.7638 24901.4409 25302.3394 25232.6473 19925.9157 21821.3074 21889.5112 22004.8946 26144.6667 15860.4164 30051.7083 26818.4253 26715.9429 27546.8360 20701.8402 13033.2882 14694.9122 18948.5775 31718.0418 25128.5440 33656.2269 21473.5800 24851.9221 21712.9439 21494.6617 15393.1535 14578.0307 16985.2189 19403.9529 19110.7678 15071.0775 18384.6119 13589.5409 17333.5005 17326.7717 19041.4994 16603.3748 11874.8395 27874.4681 13560.6051 18026.9903 18966.6950 16451.6109 25808.8590 31622.7232 22283.3544 18211.0573 19787.7179 FA(12:0-OH) Hydroxydodecanoic acid 19770.5088 38865.0229 28083.1996 39149.3248 22532.1853 30872.1726 30111.0903 25121.8253 18722.2362 12884.3714 35245.0478 40823.4786 41328.4685 39450.2190 41123.9531 42732.3857 43219.3049 39020.2978 39050.3383 51719.2573 58047.4006 47960.9882 55443.4757 47050.4853 47665.7670 54835.2348 43173.9896 39927.5578 41391.8706 41075.6180 11535.0409 9642.7912 6886.1324 8422.5528 56165.2100 49524.9039 53096.5464 59740.3156 25190.1459 16224.0288 15536.5180 24526.1770 29439.2095 22032.2273 54872.6302 46586.4844 46389.3617 42279.4000 34834.0127 20988.1399 7357.1904 14938.3285 50875.7348 30966.7711 72510.5767 34216.6663 38973.9424 42965.0170 22363.0391 23741.8795 18136.4397 16360.6456 23158.5909 30138.1112 26177.0127 28314.0658 25102.9166 18417.8558 19407.5510 27037.9990 21387.2319 16117.0223 48151.8928 17092.9223 24970.8887 22276.4537 19677.1687 42209.6100 44044.6404 43207.9221 43288.1049 27611.7603 FA(12:1) Dodecenoic acid 6236.8872 16605.7348 13555.3169 8104.3601 6963.9449 8268.5739 9063.8233 7620.9803 4710.6851 5434.4962 11366.9251 10747.9346 12843.7760 13493.4198 13699.3960 13650.8930 12768.9303 14664.3773 12063.5670 52513.3176 52043.1632 61082.6493 57889.9121 50358.4565 62531.4065 63663.0913 12652.5472 11341.4270 11328.6127 10540.5649 9487.9048 9043.9360 6136.1793 4757.8705 2559.5525 3185.8893 596.9289 9518.0289 5858.5577 12791.2387 15487.1954 15098.4307 20218.0161 9268.1611 4534.0693 2750.5450 4912.0647 18430.9307 9186.4762 21756.4704 11776.1916 13011.4445 13483.2232 9132.5255 4806.2648 6912.9027 5284.2363 6811.5008 6746.0394 5186.5674 6928.0964 4146.2956 4561.0632 5518.6119 7024.5806 5190.0006 3433.7000 16862.7570 6397.4138 6787.1414 4438.6685 3639.6555 13903.7203 19172.8632 11175.6850 8264.5699 6222.4686 FA(14:0) Myristic acid 82602.1435 154378.1831 137263.6139 117763.3326 93036.8153 201067.5708 282586.4922 327023.3139 145304.6121 179538.9192 14955 13338 22535 19797 11304 8200 8568 12500 13038 177169.8058 184006.4535 155827.5240 181421.6943 163980.2866 176091.0848 188174.3772 184137.4596 224769.8367 1733168.0313 1334832.4248 1792437.3780 1552803.8546 1703410.5149 1484080.8493 1395693.6378 179893.5166 199166.3987 182526.8206 200420.3919 67348.7202 65286.2844 102112.3114 94888.4688 149582.4648 153624.2273 212149.4942 198610.8366 119455.6591 96672.1592 139923.6396 137980.3439 93857.7066 55534.4258 160157.4709 150203.8541 88943.4704 255160.5525 92956.3464 74566.0230 73757.4393 169860.4796 148099.4360 143943.1730 148812.2475 88867.6251 129912.0259 150711.8588 82160.6558 73960.4899 92345.0183 61305.3187 66150.1351 116495.3558 93948.2958 59122.2533 61012.4684 113005.3770 242238.7477 106970.4770 131799.6140 92132.2360 122796.4300 48812.6928 118815.0913 151120.4437 59428.9648 302288.5265 275558.7146 249493.4555 389150.2367 150050.9246 FA(14:0-OH) Hydroxytetradecanoic acid 34661.4274 71572.0456 41110.9414 44160.1277 42574.5467 64644.8998 52720.5941 41435.8701 38691.3151 39679.6452 61556.9181 62000.2909 60498.4487 61691.0886 59913.4286 63600.6680 62635.9845 63562.6069 62910.6339 108915.0558 117352.1487 114964.5487 118723.6990 118632.3652 119851.3149 121878.6642 60959.1194 66509.0184 66560.0069 53423.9838 15577.3481 12682.6899 10836.7213 16111.7994 80782.4043 81659.7102 87112.3603 87386.2126 30689.2741 25931.5902 38091.1542 31206.0595 41355.2256 36951.1236 88702.4279 66273.9020 68212.4558 77106.8183 78518.5183 33326.1208 24188.3076 32578.8475 55062.5239 57152.8798 100396.9904 38889.8736 59170.6877 85976.5496 39139.1349 51691.3936 30411.6924 40862.5215 44615.8884 59988.5174 29912.7501 32831.9606 31754.7203 29726.6298 53951.1346 43952.2071 36879.8510 40694.2560 69616.7531 23203.1006 22064.9709 30171.6920 30170.4435 100061.7832 93608.0770 84840.1870 83223.7471 43963.5117 FA(14:1) Tetradecenoic acid 74951.4198 104822.1892 92646.3878 75147.5898 77370.5180 85270.4194 80247.3505 70163.8184 27181.5824 29900.7513 77578.5654 83918.0068 79865.2661 82502.2375 83236.3188 90502.1775 89835.6612 89355.5432 100221.8922 387676.6391 381829.9225 378137.6499 392782.2202 392159.7544 390389.0553 406121.5360 81943.6356 82801.4384 90242.7678 89138.6061 9854.6000 10060.8115 12185.9949 11249.0857 97130.1481 92719.0850 107738.4597 105768.1954 32509.4947 29192.5557 37778.9733 36430.3364 86111.8589 63871.0180 136128.8418 131019.4676 123153.8044 103964.5422 79988.4118 30893.2391 18413.4180 33974.4353 164736.0955 102453.5941 209544.4979 113292.2796 118491.3902 98562.8871 82756.0482 52323.9526 40840.3745 43373.9716 56894.5867 73863.5397 44272.9155 70111.0689 36210.0859 28651.4591 34010.2153 55621.3889 40210.0734 23132.7918 106977.7964 42996.9368 37452.8656 34364.9628 37167.7510 95965.3348 114424.0510 64520.8482 41137.1779 29582.7836 FA(14:2) Tetradecadienoic acid 81234.1451 99396.8370 84341.4830 62037.1045 67665.5796 94685.2872 100462.6871 90377.7909 38220.6104 44327.8299 92907.4585 92881.2979 91146.4647 92021.1434 97277.2060 100247.1539 95893.4529 99274.0031 103873.6877 363177.9295 370892.9487 366350.9776 383581.7788 391203.7616 369986.4303 388056.2073 92757.0721 95204.0634 104238.6702 99560.2772 8098.1440 10183.8736 9334.9253 10455.9635 116197.4735 113617.8682 132794.4363 130072.9483 40186.3055 40367.7687 47985.4377 46599.3462 82208.3413 65125.2595 127812.4029 125345.2844 124734.9900 142005.2663 104754.1873 39939.1104 25288.7602 45714.4241 119846.3560 86622.6712 211298.7861 114207.1291 116066.7137 115805.4884 103788.1260 52770.8800 58056.0860 55928.9542 63308.5449 66140.3850 46305.4150 74365.8168 35999.1106 36151.9205 43356.5863 71876.5337 57741.4106 31747.0789 98550.8407 50139.3098 39358.9949 35857.0508 37103.4086 110732.9472 128494.3969 79871.7699 49440.5395 32471.0349 FA(15:0) Pentadecylic acid 29903.4052 39591.6281 35205.6105 39471.0126 32181.9790 34201.7664 41066.4057 46531.5341 41810.0468 45226.0832 11533 11060 16363 12905 7469 6699 5772 8453 9133 53094.6468 51546.6100 45591.3642 50477.5584 54286.6986 55332.3694 52494.1170 55419.7496 62676.1619 113913.2110 94685.0471 124541.4199 103358.0886 115525.7889 108984.5788 97863.7608 52739.4584 59175.6534 54186.9114 61865.6377 48212.5754 43456.0414 75459.5495 77272.6930 72439.4337 66488.1726 96869.8289 91268.1167 50586.4819 41839.2125 56419.9515 61369.8741 46452.1056 24023.6671 64723.1434 58159.2534 27216.1612 49480.7681 32653.6592 31097.2350 41126.0005 49009.8320 62029.5569 45647.8130 24900.3629 34144.2714 33780.7780 53349.2642 28207.4579 31685.0421 32642.6537 36692.9928 30045.0520 45579.4414 31393.2311 20820.3598 24440.2051 49382.6191 61347.4606 49217.0728 43594.1165 32959.3658 32602.4984 15984.5708 40214.0602 58074.2651 25600.2442 48245.1566 40311.1124 67052.7651 58485.9497 34837.8867 FA(16:0) Palmitic acid 7611393.7350 9052127.0456 8020559.9987 5990885.6312 4768074.5246 89926.4114 8316268.8304 78820.4589 6633277.6620 7175400.7176 194038 184859 340972 289373 191439 198529 187053 282530 267348 6230575.9310 6805718.3139 6033095.1278 6677340.1143 5987790.2172 6815649.6471 7079817.4198 6764814.3409 7777729.3811 25882376.3525 24978679.4360 24221023.4345 22749325.1713 25344968.1725 24724524.5687 24936468.4906 6770830.0660 6598095.0647 6974501.7988 6469963.7890 1804395.1979 1781834.0871 2151058.2304 2252126.5716 4275546.5890 4464437.3955 4804854.2742 4809355.3333 4082296.6979 3009642.6870 4482073.5820 3707451.6703 4059042.8236 3475002.0730 7417752.0223 8721614.4109 5945954.9096 63476.8311 5838121.8292 3262703.1106 2386707.4135 5648954.8742 7437972.2400 7100241.7913 7082500.8612 3805819.1571 4650615.5367 6116683.2930 3427964.3588 5160250.4305 2980740.8861 2194097.5403 3975991.3475 6061133.4964 5956905.5360 3819601.0002 2460327.2371 4837215.9736 9407478.3821 3832665.6892 4052495.3510 4677252.8282 5878140.1945 2581775.6471 7549715.6370 7846558.9818 3559296.5704 91822.7820 10099268.8254 6491099.4077 85345.9093 7009840.2355 FA(16:0-COOH) Heptadecanedioic acid 91182.0732 108615.7640 270945.1806 75324.1730 91485.2247 49235.8223 35124.0612 27406.8093 19759.5629 24196.5286 7071 5832 4622 5753 3831 6090 4000 3845 6429 94807.0243 92038.6222 102777.3443 100883.9685 106535.4328 93973.1691 104646.1405 106545.6515 74843.3290 519607.2332 537775.1939 605230.4157 649220.6593 467738.4798 623333.7450 641554.1723 92707.7148 84604.0425 95002.4038 89942.9182 19365.1977 12362.3959 17142.5634 17680.3676 39976.6315 38251.8938 27265.2975 27011.6845 16813.1163 18038.2163 7452.7458 9621.0739 91428.5640 61695.0539 103201.4630 164228.3205 138712.6871 68351.0686 31021.5222 27744.2081 18531.1837 21828.1130 156933.7736 93292.4931 162820.8602 128184.6969 158629.0252 74601.6887 35555.2663 39223.4411 33195.1636 27367.1186 53911.3047 55390.4825 52525.8725 67282.2602 36716.6661 38143.5955 30186.1572 35758.4604 31951.7962 28537.2476 189956.7312 73152.0209 57377.9079 45031.1950 58493.2619 41025.3614 62311.2475 39366.6682 22187.3204 61676.8982 FA(16:0-OH) Hydroxyhexadecanoic acid 76216.1116 107048.2952 106345.1894 66049.8589 72013.0591 77049.8095 59498.9400 55813.8263 50162.3409 44918.1168 9345 11723 45005 27334 7000 10381 7027 15075 13772 82080.5350 74421.7143 83346.9156 79152.4314 84444.6906 87398.8524 86823.3064 85819.6221 89705.0748 420215.1729 209197.3618 207607.0510 467703.5255 452892.5644 207740.4784 444442.1747 86632.5433 88443.7366 87363.6933 90277.3290 10552.9255 9931.8894 44232.8604 17606.0244 121246.1266 115865.2299 110370.5496 110005.5146 48273.4503 37643.6612 41243.6078 30824.9940 68776.1592 58649.1106 142289.7082 107704.6766 108529.6452 98353.4873 108847.6714 48499.4181 26057.7705 53637.3321 122581.2285 112817.7952 61785.4020 67824.1530 108984.9582 132711.0194 47469.5722 81578.9505 44920.8978 48109.0843 53060.4581 115123.6937 43451.1782 51303.0326 41485.5191 49890.4595 87356.5007 63005.8629 68894.5983 49310.5623 87562.2422 50179.7766 53557.8752 47410.2459 47282.1638 123352.0164 106590.4352 104665.8852 101073.9798 56878.7927 FA(16:1) Hexadecenoic acid 499791.8892 713916.8545 1039965.8732 816294.7905 463746.1778 1158792.4498 1857839.4664 1614675.8801 729448.0866 1075947.2748 22900 18193 41188 27129 12872 12720 12962 14380 15202 695251.2816 687758.4654 601817.5796 693565.0590 660422.6900 698719.2633 726421.6156 714292.1158 824098.8577 13530893.9901 10785488.6403 13776483.6489 12369669.5759 13057662.6530 11600471.5022 11055158.2040 667696.1211 755741.2197 703203.8514 757631.6279 174159.6705 173480.8532 259985.2464 253015.6371 750779.0977 738165.9844 1076182.8100 974315.7003 527716.0361 356743.1649 567530.0201 526847.2033 506496.7002 281021.3090 922431.8087 870130.1276 415807.7695 1179656.1405 438920.7262 336706.7602 273791.1041 753249.8645 848842.7348 742510.5233 680730.0007 458092.9796 579763.3592 634979.6905 412072.3225 411164.7740 389806.7136 222439.3210 274600.7583 653632.0793 422248.2147 265197.5548 254146.1789 500060.8381 1032277.8009 347219.2666 496094.3401 437837.9035 705586.7121 139205.5491 757689.0725 841271.7362 257779.4044 1099896.9286 1319275.8192 901881.1977 1787514.6653 792184.9838 FA(17:0) Margaric acid 101392.2516 104493.5457 91177.7736 108933.3595 78135.9683 111471.2445 118216.6864 165300.1278 136721.6337 118955.8259 5058 5153 8355 6313 6351 5661 5528 6546 6457 100520.4971 118844.3268 98079.6077 111244.9657 108848.4971 149156.7395 135594.2444 169841.6932 194686.6945 521301.9140 405119.6497 545046.0948 528271.4776 587522.6024 508677.5233 511870.6342 105063.2085 120293.1747 154444.6583 173683.4652 71106.0759 77645.5367 121380.3982 126104.6192 131851.4216 137838.6858 214275.0814 186968.5209 120715.3250 82529.1045 148830.3783 129085.8594 90693.2941 53056.8700 127643.6973 127247.3323 58857.7211 169866.1129 109525.2954 61989.4374 101005.0166 136489.9597 164413.3279 113068.4875 68814.6839 67511.3802 78942.8934 182201.8937 105318.3395 121031.9057 92405.3297 77961.3878 54015.7750 120248.6485 103494.9746 43910.5553 45729.7170 150890.8043 293592.9788 105968.8808 143254.1033 101847.8733 66651.4168 42271.8384 71521.6263 97191.6513 49484.2982 254698.9398 120686.1923 194075.8907 236077.8809 109034.3806 FA(18:0) Stearic acid 1726782.5238 1839132.8496 2027438.7953 1679205.5201 2099960.4879 2037872.0411 2002418.8647 2182889.9430 1853410.1789 1970058.3517 184644 189839 319390 276950 191242 198848 184199 283484 270458 1907167.3066 1781623.3762 1780376.7636 2022422.6835 1915078.3614 1902832.5898 2127758.4494 1857099.7514 2806900.0152 10757787.5456 11124498.3109 11341648.3632 12330140.6732 11234706.4820 11577244.7261 10840213.5802 1860452.6500 2038174.5169 2044725.2946 1859922.4072 1990779.2013 1947117.1738 2138472.5939 2389810.5588 2061832.2821 2071133.8589 2334961.6975 2196775.3655 2264492.5086 1744672.5244 2592202.6768 2255302.2384 1644536.9878 1446401.7324 2106310.6538 2061306.4825 1738227.9824 1496347.8169 1785277.1332 1578596.4614 1275547.7745 1853202.8729 1789946.3600 2449385.9060 1593023.1196 1662966.2728 1760697.6602 1838647.6357 1794218.2813 2434838.3308 1552305.7370 1512787.5412 1789302.3347 2918750.3311 1789987.1638 1353674.1911 1672964.1199 1893138.7101 2670459.4282 1943305.8357 1564131.1898 1562841.0972 1480733.3723 1363406.2850 1555568.9683 1869045.9004 1656275.4434 2824817.1067 1712983.7286 1554591.5025 1659765.6887 1929031.2995 FA(18:1) Octadecenoic acid 3829144.9992 4684030.6091 5095995.5685 4856207.1273 3013440.7024 8726908.2730 13037507.0602 11577891.9471 5264893.5804 6012253.8763 33875 35091 438406 85783 36632 39325 35994 67895 58739 3687892.5387 5008354.4917 3977265.4614 4407469.2024 3877960.7512 4858015.2746 5095236.0705 4588750.0385 5420674.5310 50129151.7123 37351979.6344 45475329.2205 40924576.0424 48689979.6028 41593037.0859 40190691.5650 4625401.4529 4465929.3408 4920684.9068 4905602.4566 1652153.1723 1679929.6326 2531527.9765 2458259.6700 4216110.5493 4438773.1840 6073991.8838 5415894.7129 3858688.3232 2834843.9086 4218425.0465 4041295.8784 2911284.3373 2070931.0366 3870916.7210 4504068.1109 2362860.9438 7377122.0126 4007704.5921 2180085.0894 2731100.5523 4898783.1764 5119921.8275 3322247.8701 3541381.7225 3427639.8352 2914945.7177 5690716.4612 3827024.5484 3506993.6606 3990539.8727 2182050.6726 2035357.7461 2729401.2652 3457194.4235 1707786.4952 1309656.7293 3941897.8234 6928773.4302 2714281.3862 3847215.5650 3332504.3872 3293483.4592 1511297.3473 3022253.4028 3951585.2845 1985559.2866 11298190.5112 7920627.8255 6483571.2376 13144750.0948 4308939.7866 FA(18:2) Octadecadienoic acid 4272585.8954 4962790.4308 4878339.4446 4743845.3377 3192441.5817 10106545.8823 12949938.5673 11644365.8542 4727555.4074 4885997.1376 146619 142898 258802 182556 125035 160244 155011 148276 124230 4583714.1318 4859665.4986 4464166.4992 4755530.0311 4385841.1438 4950887.7629 4819612.7136 4727938.7036 5138278.7800 25393010.0231 25107743.3784 24447373.8365 25118596.7729 24893060.4144 24466140.9091 24436182.8023 4817454.9225 4715019.2668 4884081.9044 4687304.9947 1180497.5636 1131398.3725 1364332.5402 1430573.4400 4436606.2276 4544854.8370 4582837.5413 4563147.4704 3933627.0223 3185793.6746 4065388.2166 3584153.6450 3151009.2933 3085715.8474 4805460.1223 5137479.7724 3989001.7633 5802498.2239 5385155.5591 3025717.0680 2281155.3856 4266177.5516 5028231.8719 4832141.5230 6724395.3071 4005038.1600 4917259.1135 5171604.8089 4779719.1016 3852552.9381 3546830.1460 2196331.1840 3130792.0770 4351576.1872 3899019.5417 3109412.8325 2359806.4095 3940398.4991 6172888.8403 3393641.4791 3451874.3439 3790159.2962 4219475.0171 2198591.1125 4272467.0488 4560731.6242 2841855.7122 10283423.6946 9699308.6698 5112896.5829 8740921.3545 5289318.0182 FA(18:3) Octadecatrienoic acid 843615.4189 1005556.6223 1068033.9798 693258.6454 527737.1139 1524231.1887 2227035.1771 1829703.2488 657804.9020 724549.0494 2622 2674 7804 4994 2945 2953 2917 4066 3249 792937.5313 824499.8580 752502.0410 769556.3692 730688.6690 812211.7028 820428.5904 802281.2828 875498.9652 8203328.4408 7961074.0292 7789901.1645 7914229.0613 7968710.0421 7861589.6739 7955989.1214 821260.9138 782252.0256 816077.5811 798062.4675 97822.3360 91387.2512 101509.8473 110096.7685 717208.0671 704577.6178 717564.3749 726921.9178 503861.5369 385282.5651 495746.8301 431274.8668 581345.1457 540775.8485 1240084.6979 978578.6766 825410.8893 848760.1702 656272.3663 395056.9988 242956.6601 614495.7080 1047520.9614 1126444.2606 1511807.9322 837733.1676 1074781.3715 675906.0181 644746.9224 481171.5951 419860.1357 199815.8299 428792.6717 939486.8294 668030.7895 492851.5435 429313.8240 517554.0899 885475.8773 370963.5870 428367.8531 487988.6345 818711.0092 263175.2025 818113.8812 883738.5282 377199.3527 1437406.9892 1490711.2060 712057.6096 1348689.0415 818454.1064 FA(18:4) Octadecatetraenoic acid 76483.4371 95125.4191 115900.2239 37233.5027 45094.0511 112928.7370 177510.6409 121474.3884 29731.1269 44328.9814 61225.3172 61572.0538 55756.0660 56022.1259 59461.5899 63057.3669 61770.9229 61353.1867 64161.8751 1116720.4950 1056748.0703 1043931.2705 1008258.0268 1097797.1384 1082120.9872 1059773.3735 60543.3892 60212.2838 58953.7254 60109.6595 12089.5288 12082.6046 12069.7774 12851.2917 32210.0898 33271.4624 34585.4381 34459.9402 23957.8088 20510.4079 25055.9223 21941.8843 47849.2588 39629.1566 127936.4322 73379.5429 65718.6382 47377.0674 37931.0374 22832.3362 13518.8367 33842.3976 90087.8343 81710.7579 111611.0836 67779.0772 93893.8536 35918.1361 33385.7203 22082.0180 25619.5913 10337.5603 31601.4556 74275.5678 46566.2217 38188.5624 35252.5695 35264.5781 68812.9347 21300.6400 21846.7213 25320.7190 93592.5497 20120.2624 71776.7920 64538.4328 26001.7558 109818.6321 118343.6749 44101.6273 106189.4628 47967.6768 FA(19:1) Nonadecenoic acid 27320.8356 26801.7398 35170.3883 31592.8520 20238.1616 63507.4895 95829.9004 107113.5588 33750.8370 41941.4396 30678.3386 30195.6914 28121.6810 32219.1473 33177.3407 34191.0712 32311.6881 34111.1340 46124.0343 340014.1341 347902.8942 352701.1308 363970.5037 330824.9467 339611.1767 327458.6599 31776.6550 32911.1939 32494.7505 34297.6787 12749.2557 12253.4649 15189.0162 15874.4050 41528.5816 39567.0177 40392.7933 42621.3498 36490.9998 23781.8910 40969.4281 29443.8969 25061.3212 15554.0290 48260.8159 37112.8610 23067.1326 45003.9014 35817.9854 20769.3365 17254.0619 37020.8562 32740.0920 34379.2278 38122.3522 23662.9542 29749.8496 35462.0822 32462.4427 32459.4979 22133.6255 15787.9436 17722.2632 37581.2848 25521.7032 19547.2346 17822.6929 26739.6759 47984.2395 22526.5568 29541.9348 27983.2004 26767.9184 13734.1860 28490.8874 32291.6197 16077.1592 73015.3465 62520.0232 34270.0623 61792.9792 35964.6374 FA(20:0) Arachidic acid 26754.4399 26509.4132 35391.5159 38163.2722 45166.8911 30516.1143 31105.4199 42520.9257 44521.8461 28378.4324 3099 3741 3971 4783 3745 3635 2940 3730 3539 45103.9605 44101.0849 43518.6935 49313.9580 44926.9079 52912.3630 52181.6985 47801.5411 40704.6990 116768.1530 120583.2785 118632.4529 122188.1168 131357.9327 127624.7168 124658.5320 41970.7462 47106.0784 48079.8713 48873.5121 35525.4124 33476.7864 38530.7212 40631.4103 31910.4327 30812.9551 34478.1378 37296.2559 41936.8344 28328.8976 45465.9754 35769.0484 28583.8225 27916.0954 42836.9153 35080.4201 31676.3834 32761.8760 40727.9994 32914.4229 28635.4154 43421.5597 33819.6194 58761.7650 21014.9101 29813.0756 47854.9778 46361.7283 37066.5978 63142.4340 31122.0221 28435.0243 33012.3220 61830.5291 32713.4645 25145.0475 37382.5210 49638.5896 90239.2368 47056.2024 44099.2846 43746.0658 22180.9300 18873.4573 25032.3129 36741.9169 36016.9715 61097.8244 31486.2291 42463.0224 31126.8794 38309.5255 FA(20:1) Eicosenoic acid 177196.6306 182577.2558 336119.5694 291404.9673 206090.2204 401668.3690 796475.2443 540650.0141 168081.3443 292666.0187 7134 1643 1057 1647 632 1996 2650 267189.1164 267696.1607 261749.3083 284915.6535 289267.3983 270702.8538 289487.2177 267951.0942 334132.0048 1919260.7321 1989291.0529 2098756.0903 2330926.1832 2115759.8760 2383811.3017 2114168.9761 270873.1319 285323.6313 261040.7934 273523.4388 77786.4539 72563.2560 87279.6625 86582.2403 190748.3359 188210.8776 204915.3593 212663.2410 195488.7634 152448.7439 224367.8578 187461.7284 152303.4096 179817.8660 394120.6608 341337.9071 225439.5823 318747.2917 224598.2307 198356.7083 115783.7856 239955.1990 222174.0662 265538.4017 383164.6817 197420.5965 254340.1608 225663.0996 237192.0800 201940.4141 210564.4549 122336.2365 173050.6821 210479.3429 141388.1423 153597.6752 136101.4754 193314.1016 234415.2387 187343.5391 209046.1708 220264.8123 193390.2018 98062.5041 205188.0678 212167.6236 117183.5734 404949.6685 553986.9574 187193.3947 376759.1065 265402.6881 FA(20:2) Eicosadienoic acid 149879.3738 141193.1264 195733.4724 170968.4134 100425.9331 651440.8288 1097396.1795 1155926.1632 455336.1811 550016.4043 2291 1903 6441 2525 2024 3527 2974 1695 2801 271057.0569 274191.6651 231077.5483 273064.6584 265920.6110 305522.7846 277300.5028 344277.4264 369475.7313 3682619.9139 3032096.6076 3832242.1355 3663563.2650 3656621.3792 3402215.5784 3059793.8171 247696.2860 273025.8088 295762.1862 352505.5963 55249.4067 52789.1285 70810.3613 69385.6926 356571.5997 349802.0488 455831.8428 407412.2575 308354.5202 195712.0172 312156.2640 263921.0722 111892.6728 78627.8582 227301.7605 212276.3898 114567.3947 740063.2625 321804.8654 152590.3249 173838.3519 362700.6212 233577.2913 181285.4654 219355.6195 105179.7143 161780.1490 481234.1529 351830.4774 263978.7672 213186.5777 128949.8718 63077.6023 141787.2716 135688.0555 70547.4155 57769.8658 264459.8733 644949.1540 174072.8715 345083.0250 260127.6946 115437.7574 48696.8101 134849.8573 194197.2189 58363.4359 869607.1995 476321.6474 460752.6802 1040841.2336 318594.5485 FA(20:3) Eicosatrienoic acid 1438253.9318 1418211.9739 1680390.0915 814800.7490 754052.1311 3850751.5680 5161109.4823 4673676.2777 1709192.4228 1896858.6172 4022 5636 10453 10869 5287 4160 5508 7355 4636 1371295.6873 1515757.1304 1444251.0483 1469678.8159 1370224.6490 1516342.0049 1500374.0563 1480215.0213 1525666.8456 20169536.2408 17946578.9967 17704294.1742 15616891.4691 19189560.8599 18903108.7448 18715121.8789 1521795.8891 1460170.2406 1501778.9501 1456748.6184 134219.8071 132326.9983 132822.3544 133897.9953 812406.7083 856180.7871 815354.2670 831291.9147 852248.1259 569432.1962 783727.9136 612751.6549 764080.2855 675915.2462 1396105.6329 1404655.3247 1151968.4394 2141450.9529 1548398.6542 701688.1615 501778.1425 1410529.4640 1461821.2968 1440929.2018 1868159.4893 916521.0808 983150.2488 1666110.1091 1212580.4398 1327207.0441 837189.7884 408982.8764 673556.5771 926495.4629 991352.6347 674525.7860 427920.7897 935939.5696 1686559.6476 626047.2305 950354.8047 1100021.4162 1070875.2726 333574.9372 1121244.5471 1424053.7565 470972.9468 4469145.1867 3667601.8911 1820937.8502 4120451.4688 1834207.0911 FA(20:4) Arachidonic acid 13387627.2249 13990374.4686 14725105.3149 7770156.7240 9924511.4461 21240909.0608 24403005.6913 21868198.3357 12544904.5369 13673317.8155 25105 23326 80180 51639 29250 36628 28336 38818 31922 12706199.4750 12913955.3164 12272144.8040 12777206.0400 11900647.4433 12581521.9870 12456263.7614 12202273.4186 12457382.9124 40199711.7791 40315996.5978 40011098.0173 40059325.6488 39478146.2111 39592026.9931 39033254.8363 12902733.1956 12570451.6128 12576784.1855 12122271.0212 2361744.5579 2310753.3348 2450714.7361 2434939.2421 11035136.6148 11822674.2363 11046445.1533 11029364.5227 10416305.6307 8600159.3317 9875155.8869 9030000.9340 10389024.1294 8779161.8879 16313398.0750 14679201.5269 12494838.1810 16028780.1030 14128370.6732 9238117.0756 7228619.6015 11567241.5963 13956975.7366 16112837.9758 19778479.2218 11532060.3510 16532511.5932 14839153.6626 11576252.5398 11948327.0432 10066167.6616 7186499.7064 8803168.2417 14583662.7258 9903807.0816 8961280.3777 7446443.1202 9381269.2260 12679015.8216 9202762.7777 9167859.1254 9349829.0759 10647429.3072 6222719.4179 9391229.8344 10023254.7559 6716860.7633 22843662.1819 19222213.3969 13202313.4176 18513057.2145 11713452.2291 FA(20:5(5Z_8Z_11Z_14Z_17Z))) DPA 7180861.9577 8069031.7523 9823932.4624 2875532.3649 5517148.3952 10872664.6780 14000576.3319 11147937.7860 5180456.2187 7396154.7965 10074 12002 14695 13118 10099 10052 8903 12482 10417 6825602.6069 6984927.5613 6564223.6289 6832141.7879 6591110.6700 6732649.1914 6872704.9540 6616341.9709 6853333.2778 21139933.7786 21537081.3080 22006082.3245 23271026.2690 21855206.5198 23020521.7844 22233858.8785 6868305.4032 6789950.2224 6491137.9787 6721903.1466 11402.7972 313366.5413 306345.3877 316353.1330 5006667.9367 5007939.9720 4905340.5385 4831954.4538 3418755.9981 3001601.0393 3363544.8189 3107637.2380 4689413.6754 3605989.2613 9044472.1279 7372550.7062 5756420.8907 7610546.4158 5548541.2772 3448695.4568 2069096.1605 5058320.5194 6740263.1934 4709134.7128 8005896.0124 2894149.7039 7929879.5440 6510678.7518 3536226.9733 2536665.3615 3056681.1518 1540384.7414 4055409.0546 5372554.4232 5421354.7155 4789003.7837 2290357.6593 6134889.5228 8326193.4637 4402597.1020 4233875.2494 4670461.0733 8276708.1836 1335142.9414 7119988.5972 6013628.8166 2400280.6437 10469779.3133 12330290.6956 7084857.8470 10824086.6445 7742693.3581 FA(22:0) Behenic acid 7787.9414 8527.4766 11324.9620 9624.5395 18961.2227 5856.3020 5367.1542 12388.2645 8879.9869 3583.4688 10173.3621 7721.9720 8281.6681 8383.9886 10909.9781 13363.6103 11861.3244 11201.4048 12393.9995 23329.5761 29470.2524 27001.0484 18899.2183 35147.3979 29056.4259 32317.3476 10052.3014 12203.4851 13257.6041 11775.2644 11533.0138 13256.5183 13014.2632 15397.7956 8575.3480 7243.1181 8690.8628 8404.9973 10498.5760 6175.3264 8744.8373 8904.9549 9318.0743 11103.7261 10323.7832 11594.2184 9869.2419 8707.2634 12388.7975 10586.4869 11180.8268 16943.4530 15471.8332 19914.4860 6165.0698 11367.0317 12036.3532 14812.3662 12160.3800 18163.9009 6820.6187 9142.0599 11318.6284 18657.8573 11160.0242 8118.8792 13311.3894 17681.4653 26906.1900 12952.9551 14154.6122 10693.0336 3628.2449 4590.8410 6176.0968 9058.3921 12457.1087 9273.7691 6105.0087 12170.1253 7088.9180 8892.3660 FA(22:3) Docosatrienoic acid 26750.1902 24710.6019 26884.3093 23079.2556 28348.3736 116531.7160 229116.5541 176278.2638 49115.9970 81202.0187 48375.0304 44226.0571 43616.7170 56429.4585 49177.0632 48634.7952 50228.3206 47682.2694 64326.1006 450467.8214 501059.7432 542893.8462 612708.0730 541352.5178 576771.1820 515469.3260 44680.0733 50694.1851 46331.3550 42825.6816 7864.1844 7724.8138 7444.1097 10766.4321 40824.8090 42031.3334 40580.4267 46306.4067 37993.1413 28709.5869 39722.2145 35722.5751 24604.8471 20425.4318 42740.1778 44749.6142 33129.6594 73092.3316 55296.0163 44408.9623 24326.5837 66046.0505 33363.9758 33700.5285 72634.0255 25994.9776 38462.8119 65981.8058 54788.8492 46013.1427 37946.6322 22908.1383 23808.7485 21936.3128 28152.5696 20630.6386 12525.6655 36742.3547 37938.8234 27300.1572 34094.1928 44224.1456 18601.5168 12224.3969 26169.9420 35585.8576 15695.9755 76779.3109 83569.2471 59414.5562 94571.8728 61190.3634 FA(22:4) Docosatetraenoic acid 1251295.3424 1201321.3703 907765.9100 785946.4843 684088.2100 4340437.4555 5758601.3115 5981267.1657 3548985.6558 4006700.0035 1869 1954 7490 4230 2294 3234 1608 2843 2256 1757741.1563 2274870.6574 1837273.8493 1923104.8204 1783413.8890 2335675.5869 2246447.1511 2134683.2941 2404228.2000 24532310.3366 16919797.4994 21178449.5161 19580134.8609 23936535.0736 18828346.4694 20202158.2089 2010839.1592 1951763.9396 2360622.4664 2322667.4066 184517.8633 187310.7562 261601.4633 250105.3008 2105589.5644 2099497.1613 2710715.6589 2468385.5996 1546740.0432 950527.5177 1502714.4368 1285087.5217 887601.8167 652433.6332 1097145.4058 1465694.9174 929701.2176 5530055.9868 2803712.6068 1220531.6741 1226893.0806 2712072.1440 1803101.0259 1271431.5121 2121891.7949 1143218.3023 1142921.0521 4593790.4672 2702555.0487 2177284.1648 1884492.1013 941208.3778 529434.3617 790444.6655 1150137.7214 507797.3202 272577.0467 2111112.0171 3458629.3239 1115514.1397 2246731.2378 2124171.1209 559528.8460 310677.9135 651197.5572 1155303.6646 348670.2380 5111469.5906 2695921.0508 4084620.5197 6366108.5282 2133376.1676 FA(22:5) Docosapentaenoic acid 453421.9067 2082350.4209 631522.2722 1338385.3710 1647443.9475 9233913.1501 11236611.9449 10755259.4764 4986856.0966 5159240.9968 14228 3227746.5052 3390467.0266 3272321.9255 3393150.8538 3200498.2942 3403956.6877 3407366.1190 3313475.9036 3510256.7381 14660038.8858 14199459.8836 14036040.9950 12284001.2357 12781600.1974 12592309.4509 13810140.5899 3419808.0610 3313332.4939 3422015.7896 3251566.8421 338481.0768 344358.8403 371859.5062 376167.0337 2444463.5917 2526552.3142 2606553.8368 2638427.4532 2413513.7548 1592940.6925 2355486.4224 1876139.5487 216196.6305 1150347.6575 799382.6479 754993.2679 471240.7908 5500938.8553 4466657.3357 1901728.7717 1255940.2129 2914879.0939 445233.8652 898981.9888 1276562.4219 398038.7522 403498.7646 4592899.5687 3581083.5693 3426145.8169 2227669.0198 1100744.5968 1373652.4943 2224424.0075 1673481.0263 1468614.6721 1044332.4193 3486044.8511 5814304.9025 2408040.7825 3195699.8064 3417697.2690 1612443.9210 553780.5329 1874185.6501 2424442.0648 161205.5806 9004937.4168 7427850.7926 4268770.4933 7756962.9850 4287045.7926 FA(22:6(4Z_7Z_10Z_16Z_19Z)) DHA 4592460.0201 4813996.4050 6442452.1219 4062258.7734 5753339.6984 10431600.3176 13385626.5876 12789825.2791 6973116.6213 5984811.6963 17861 17328 37020 26344 20060 25957 20519 23170 18781 5656790.2249 5661835.1239 5459532.9837 5662137.1044 5445883.9576 5674913.3682 5526791.7745 5468161.0159 5423031.5413 27346877.7542 27455741.3508 27157680.4841 26993889.9099 26966619.8187 27100802.0998 26560096.2541 5747276.3264 5618519.1273 5592850.6371 5372040.0115 1650362.1873 1594557.6875 1661304.6146 1694332.8045 4677567.8093 5003964.0725 4707808.5612 4717903.4890 5470418.0754 4278241.5777 5114146.1297 4551093.6140 3690625.3915 3247776.4878 6731644.3828 5234344.4845 4071033.9163 7180074.0986 6907561.0768 4011591.2962 3128537.8842 4891585.8659 4185143.8192 6325275.9761 6211426.7570 4594275.2837 5061705.0562 6493416.4407 6007297.5707 6961435.2580 4377789.8977 3233017.4470 4029494.1124 6467931.2429 3746516.0993 3962740.0857 3938313.4295 5087219.2021 7025575.0921 5971857.9972 5283211.7288 5409474.3885 4413369.3067 3890334.9960 3961297.5148 4815493.1231 3854839.3629 10705578.9950 9373863.1758 5183705.0994 8375533.7795 5418668.6663 FA(24:0) Lignoceric acid 12836.5837 12180.3437 21621.8711 16026.3321 33368.5748 7690.2438 12925.1504 16794.0145 4950.0446 11511.2680 23620.5164 24443.2093 22608.9990 21319.9817 18128.8817 24440.4947 23480.3776 24323.6453 20538.1763 64923.9660 53429.7737 63387.5805 46596.6418 59009.1471 46548.3471 58777.6492 24501.3933 19997.1968 23434.7588 26720.6801 8499.0300 7884.6166 11963.1966 11963.2412 18279.2425 19796.2731 23839.6854 21590.9448 21171.9543 14549.5097 19570.3332 17981.3379 14027.3063 13965.2427 23710.9840 15654.1796 9703.9837 29298.0869 16412.5282 24732.7604 30104.2054 27615.7272 22074.1799 26261.9750 6855.1150 16764.5088 17038.8988 36509.0988 24194.7919 25589.8207 27671.1029 24393.6951 18754.2650 28064.0754 19791.0432 15312.2651 24096.6180 38602.2735 78225.2925 33217.7112 34139.9433 31985.4071 8716.0552 6209.8645 12227.6516 16805.6216 22451.4644 19651.7832 11294.5258 21997.4684 13943.8967 15132.7044 FA(24:1) Tetracosenoic acid 56005.2883 44887.5293 78207.4651 60278.4645 77868.9099 34951.2089 24530.5043 49367.2844 48532.8232 20891.1088 57283.2218 35839.0585 48536.1950 43141.0687 55188.2402 56754.7116 61017.4352 56866.1946 60269.6577 156566.3663 167045.4669 169730.7668 115185.3560 172161.0207 185228.9355 168742.4915 54384.2405 57014.7128 56717.0949 59162.8158 11565.4469 11430.1211 10210.6236 11215.9622 35973.0114 33396.5805 32933.7447 33455.2045 52252.6566 39721.4475 45214.7271 37746.0849 42727.0179 61129.9265 60894.6631 80790.2613 52966.1022 41292.9077 58569.5225 65503.1384 42217.6961 71924.9127 50699.1229 117114.0752 40737.0769 67959.1662 38432.5392 54787.4450 51082.4761 65977.0281 36847.2050 41177.3789 54304.4335 83098.7982 43706.0208 43655.7640 69724.7257 71781.8938 98624.0430 62312.4454 64421.3685 48944.8569 24455.9484 27665.3809 33694.1054 48313.0889 57686.6448 54071.8161 49127.3752 28131.1909 43408.4299 51766.7234 FA(8:0-COOH) Azelaic acid 3484.0491 2587.1944 2462.5507 3487.4853 4864.1467 3233.1699 2908.8548 3451.0402 2601.7720 2910.3070 5576 5030 4519 5665 3562 3623 2729 3546 3543 8281.3866 8636.8399 8190.3539 9507.3180 8795.2228 8446.2338 8295.0817 7853.2497 7344.4431 5715.1479 5311.4396 9142.7374 5951.7367 6853.1885 5010.8611 6047.9026 7294.0452 8799.8256 9084.3962 9948.5452 4505.6847 4450.6248 5279.4720 5672.1915 5182.1830 3315.9010 4364.1953 4154.7532 2891.0343 4000.4002 2906.8757 4515.4767 3985.6780 1709.1538 2621.5947 2614.5197 3581.0810 3048.5095 2055.1040 3018.6102 2558.0831 2972.2111 3078.4815 2604.6262 3145.5513 3561.9487 3707.3187 3344.0077 3229.0469 3560.8278 3426.2747 3658.7729 2819.9729 3333.2869 3000.4917 3584.9078 3653.5930 2879.9165 3405.6540 3519.0770 2610.1068 2582.6842 2141.8473 3100.5916 2960.2654 2792.7611 3706.5848 2898.7825 3397.1057 3411.8639 2535.5006 3383.6285 FA(8:0-OH) Hydroxyoctanoic acid 4193.5160 5393.2497 6698.9686 5981.8427 4658.4992 6423.4331 4677.6106 4849.4663 2858.9836 3545.8327 9738.9218 9603.4342 8723.3716 8986.1179 9558.7872 8476.2189 9229.7186 9409.5710 10209.2698 9800.1267 9846.7812 8696.3184 8218.0732 9812.0968 9789.1714 9135.8928 9153.8879 9658.8894 9611.8212 9379.8401 12074.1006 9013.5373 11518.6925 10342.0263 5490.3536 4158.9099 5573.0577 4460.9703 2399.0431 3570.4832 2911.0152 3463.9717 3578.4256 5008.5235 11038.9777 6944.4224 6269.6518 8728.9666 4762.2981 3306.9669 2630.9731 2921.8859 5705.5331 4624.8844 6040.1735 5342.1293 5823.3815 5060.7872 3762.0562 2990.1417 3479.5430 3834.0097 3996.2082 3715.1492 4191.4482 4083.6195 3461.6361 3016.0311 3609.7977 2749.8784 3461.6020 2632.2533 6464.9214 3321.4253 5071.8633 4856.6960 3364.3365 6269.4258 6561.9882 5970.5223 6421.9344 3915.1571 FA(9:0-COOH) Azelaic acid 53832.8115 65537.9083 54028.8329 64299.0525 73960.9491 70083.9774 69186.3194 72514.2568 48093.5701 45528.7919 45821 45172 52051 51317 37889 40764 37893 42470 42372 124377.0586 118409.9520 108688.4735 117192.0562 118493.4443 122639.6620 120454.4947 122087.1762 130178.1102 163333.0378 170273.5413 160731.1063 170752.8943 167123.7930 163441.1394 172419.6837 117329.0363 119199.4778 119476.2999 117402.6858 67434.5321 63032.1905 64652.3508 66348.9953 88002.0191 76868.7395 79683.2834 76822.9895 76555.4694 76721.0632 72762.3105 71405.4490 72616.7169 78648.3190 81587.1155 85854.2226 80155.0582 60587.2391 56252.9021 60998.1866 78459.5003 5809.1264 78102.1901 68171.2373 98861.4466 74637.4593 94060.4470 93372.6290 67319.3765 63365.3910 61919.7310 59341.8769 80778.9160 81043.2018 97729.5250 65283.2115 58561.9261 74287.4424 64408.1978 68577.5152 52315.7209 54065.6950 51490.5173 54985.7300 59776.5726 71511.3614 93061.2472 107796.8097 56998.2165 69089.4412 49935.8310 53842.3514 gamma-glutamylisoleucine gamma-Glutamylisoleucine 9450.7365 10301.6020 10919.1104 11611.4040 13464.0521 13345.1175 13215.3041 10890.6697 9905.8613 10413.6774 10714.8424 10762.3088 9795.0354 10346.3365 9756.2066 9419.7218 10595.9671 10745.8132 9890.9996 18810.7789 21602.3057 20038.2568 21049.3562 18248.8722 20724.8649 19750.4252 10369.4493 8916.3125 10445.2036 10547.3533 1650.4754 1669.4369 1860.8571 1568.9978 6786.4758 6752.9586 6593.1223 7024.6899 9464.2429 8459.9552 9395.7537 10010.2557 8760.4236 12626.4265 9114.3421 9354.2656 9830.6147 14039.5989 12627.6550 8602.6661 7572.5891 12563.3575 7722.2725 10555.6921 9601.8630 9386.5493 9589.0344 9085.9576 11166.6835 10503.0428 10954.8008 9381.7760 13289.2539 9609.2644 9141.3829 9072.8970 10724.4053 7683.4218 7932.6095 9324.8056 9591.4343 8405.2194 9125.1088 9470.2310 8419.1393 10269.0457 8890.9018 5814.7827 7676.3172 8310.6684 7304.0569 7599.0762 gamma-glutamylleucine gamma-Glutamylleucine 91370.5801 86008.6087 80315.1741 98596.2516 106627.6840 176217.0630 159342.3779 136229.3869 112730.5381 9688433.4336 99637.4393 100314.3288 99700.6319 100513.6515 95562.9858 100643.2715 98660.5415 96109.9511 96967.8762 150778.9273 154192.6700 148651.7576 144348.0569 151202.1005 155277.5553 153962.1136 98800.8506 96696.1751 95650.2917 98399.6081 7814.5142 8072.7762 8805.9404 9434.2311 109373.8871 111541.2878 114087.3724 115653.9796 119686.0570 116554.5969 116943.0152 120796.7892 81299.2755 121641.0194 71837.5881 79509.9630 96171.8121 157373.4833 133149.2278 101820.5091 65437.5834 118499.7744 67078.6257 88945.0652 73416.1253 81601.6497 67101.5896 121109.7596 129308.3357 127845.5512 120267.9692 101273.7227 108909.0347 82241.8081 74711.1036 86528.6817 92569.2507 81206.3301 93125.9641 115891.9471 113822.2202 98061.3150 72915.7977 79782.7391 82846.9213 78895.3137 83092.9897 88724.9000 96156.0192 102503.6944 96132.0754 107911.8721 glutamate Glutamic acid 191874.4541 139332.8485 128908.0235 194312.2729 291162.7395 248516.9764 139745.1042 166788.4841 92295.4780 77756.0561 130208.1314 124307.0386 126686.1715 129116.8070 116852.1802 122285.4146 123693.8262 128703.9544 135356.3719 314244.7258 331450.3523 373892.8769 308328.1990 233588.8461 218970.5308 296355.7723 120774.0860 125845.2479 142976.5745 121926.4943 77852.5844 85619.9080 92000.1010 100131.3639 194698.7483 141739.1477 135230.8126 146486.6449 136925.8645 150591.6365 128340.3475 143213.8498 171842.7134 139394.7125 182583.8977 135554.7853 147092.2045 142903.7022 106630.3149 103683.1731 61406.5062 98446.9806 125552.5440 156882.2158 163180.1571 186387.8314 200426.9146 129393.5884 120113.9784 126273.3388 122573.0995 99150.1263 183773.0778 145678.5064 132915.0452 192671.3301 237395.9175 114756.3904 69386.1909 132528.7489 75063.8315 77344.4312 176365.6809 143471.9504 140304.3574 136208.0502 154094.1503 92799.5061 166581.3955 74893.5932 87825.8705 123768.6826 glutamine Glutamine 617109.3776 555814.0487 479912.8902 611954.2758 490059.7476 963890.4897 642767.5546 701454.7040 510673.1282 40994034.9516 12709 12266 12312 30132 31071 438848.8927 431396.1855 436625.8372 450873.3691 430406.9220 457424.3060 442444.4728 433283.9702 436275.7924 438301.7469 446008.6015 452367.0055 437849.8508 438657.8481 444310.4364 454854.2202 440142.4922 459024.2617 438248.3290 446646.8584 92644.2013 88661.1065 104968.2668 100634.7083 221886.2824 212603.1383 224701.9590 222545.4062 508011.8355 483322.9502 476900.9999 502817.2113 508190.2230 540924.0039 255616.1225 435951.6721 503009.1344 636915.0038 593391.1638 493884.9642 386448.9327 542160.4094 440355.3903 517436.4942 469124.2772 488501.7899 285677.3176 528625.4997 570411.0993 723453.9442 502163.2569 563867.8516 684938.6563 494015.3447 513943.8003 641185.5675 588760.1750 453086.8162 415799.3689 535996.6015 487217.2148 536773.2519 487962.1434 568204.4515 511696.4233 457076.8021 601486.2138 510389.8731 565988.2505 457464.8074 440954.6493 587245.1429 glutarate Glutaric acid 40070.8189 27124.0909 34571.1292 31852.5244 52184.6366 34290.6211 54127.5306 34417.1346 37179.0906 36310.0935 52454.9629 53152.1435 59463.5020 55858.2931 56052.5011 53847.4245 53588.8408 52505.6377 53782.2750 54260.0649 54724.2983 60308.7900 65178.5285 59080.0712 61830.1115 58836.1265 53264.4972 53636.8664 53514.9536 53434.4468 900.4104 964.0338 1383.2596 1136.8336 48051.5447 43978.9928 47477.4375 46587.3067 43991.2028 51483.5349 41728.9147 46627.0564 37577.2319 32037.6089 38236.5168 38352.9844 51294.7234 83839.7175 62065.4499 65469.0279 49200.5752 47690.9934 41029.7939 37946.8201 58594.3171 51097.2523 56459.1305 89500.3082 57635.7258 63573.4267 71865.2488 54723.3394 53560.4926 28180.3352 30175.1258 27171.8698 32757.0763 41448.7177 68569.7395 62618.0402 50292.8703 45851.9546 33609.3344 37193.6792 27547.1021 41956.9336 48577.3180 56959.2499 66994.6573 76345.8757 52355.0787 79323.1622 glycochenodeoxycholate Glycochenodeoxycholic acid 403739.0904 392757.4752 144902.6966 743027.4140 110273.1498 219030.8987 67277.7151 326654.0352 316080.7804 26430.3388 3075 2971 9707 6034 3732 3893 1909 4633 4826 153948.7357 158756.8331 191302.0864 160386.7846 153978.5916 125313.0163 168609.5205 195697.6157 1481050.9495 231883.6590 255563.3474 247872.1213 222947.1543 228564.8920 207813.3505 248811.2969 156206.9151 166743.3686 150154.7475 174831.5451 12249.1835 13930.2751 11858.3710 10854.8349 234177.5520 279997.6372 283013.4054 259117.5961 827954.1255 794076.6530 832259.5481 841698.3522 31860.2332 46495.1948 128494.4162 382181.8436 398257.6566 43841.0009 398621.3100 56908.2543 217048.4451 552794.5732 37087.9045 166381.2485 181270.2430 308694.3404 108337.5245 42554.2173 1204655.5026 198298.7394 28559.6715 471996.2583 240331.6102 179145.3446 270098.2562 276824.8669 325562.7876 49861.6571 117267.1420 31303.1539 78728.2588 190020.8595 171188.3193 2216759.4969 357748.7209 723440.3481 503885.7197 413425.7159 559154.8576 27799.5273 42066.7419 254756.6439 glycocholate Glycocholic acid 41470940.7193 46313983.0417 34322948.9141 40191363.8146 27556214.9672 49622334.0880 38017613.3540 25562699.8361 25411775.5208 10271841.4494 13164 12439 23245 25169 32612447.9099 32671325.1509 32417302.4971 31726350.1467 31321421.5492 31994248.5161 31706619.2770 31780611.8634 30458915.1621 34030146.4406 34633843.0052 34255853.6213 34187831.1459 33458667.9579 33699054.9212 33476159.5985 32727548.3497 32037959.4962 32279035.2471 31327164.8585 9644424.0984 9984932.0845 11274356.9520 11145962.0224 18257552.0388 18798501.4408 18988778.5585 18835704.9661 15527026.0021 21678546.4908 42220818.1434 17588544.1798 22356546.2913 10196290.3718 37674454.5113 9076593.0014 8952113.2584 12408127.8953 5837148.1619 25662575.4636 16171888.8490 26552600.9202 27870611.7183 8862695.3931 39652648.0541 40867863.6036 13827969.1068 21293859.6902 31757912.2778 34425541.5916 45522530.0466 42834335.3622 43184280.7368 4770403.6330 3737151.2153 8305314.3016 18726797.8069 9773079.9125 43818140.2839 34038013.9328 42365997.4724 45358589.3627 43582833.8728 20955743.3389 52078384.4278 14249832.9190 26256789.3262 25435894.6456 glycodeoxycholate Glycodeoxycholic acid 272350.1642 77566.8763 100691.5491 139062.1767 197712.6529 1236429.0236 388563.2354 454078.5036 98270.7280 147504.7570 2985 2697 5798 5312 3487 5278 3455 4089 3553 322088.9635 261469.5935 293015.4976 336669.4892 365182.1542 295068.3101 349100.3282 279930.4172 168995.4951 315025.4264 419271.6608 461292.3443 478286.3206 263606.4958 310269.8447 342811.8115 296960.7667 374113.8759 322572.9962 275969.2592 5218.9825 6939.0723 6571.4358 8446.6011 414686.2063 341381.5974 328359.1876 342264.4320 201519.9410 198713.3302 718260.4254 650163.5268 223728.9938 76759.5912 221457.0947 530022.0641 777383.8868 131909.2658 733982.9632 221383.9978 38614.8391 95142.5206 81376.0759 109816.9444 302523.1490 243044.3780 162913.1723 154502.2187 429202.5192 551452.8773 114399.3932 252418.5103 285661.4221 105314.4047 167842.0184 465771.8908 208571.4005 74515.3138 55699.4259 252809.6589 108845.8611 117990.7763 250168.7969 278601.0175 85939.3621 81296.5948 393868.4834 264506.9500 3385182.2223 63869.4893 49339.6808 341663.3325 glycohyocholate Glycohyocholic acid 41514526.5637 46313983.0417 34322976.1065 40191363.8146 27613671.2763 49631525.5925 37928073.7968 25566393.1432 25424269.0943 10272782.0025 13164 12510 23762 24537 32562307.2527 32678413.1103 32385698.9314 31744305.5382 31321250.9181 31996782.3272 31689564.7974 31781234.7713 30465207.5835 34029387.5187 34634448.4019 34278479.0679 34236941.8135 33412373.2368 33698501.7599 33486440.8880 32740210.5537 32006781.6208 32294926.1017 31349481.4653 9651053.8524 10028612.0099 11282671.8721 11166313.5004 18258453.0162 18799389.4208 18974622.3025 18833262.9077 15521948.5318 21678531.1410 42242833.8053 17593288.3380 22348150.4046 10196594.7257 37674901.9014 9078674.2773 8952250.5773 12408132.0861 5846451.1539 25653392.7770 16258519.0281 26532309.9171 27870611.7183 8872296.1301 39629072.1795 40770978.4691 13896148.5393 21314975.3319 31788712.3206 34425741.7166 45522530.0466 42834480.0789 43211397.8592 4761019.5781 3735297.5486 8304355.3481 18733878.5181 9781281.2744 43818178.1296 34045625.1601 42459562.6058 45375946.6816 43581907.4978 20955820.1017 52075874.9763 14228631.3502 26231467.8479 25435894.6456 glycohyodeoxycholate Glycohyodeoxycholic acid 991264.0046 1357054.3721 995324.6558 1004163.1427 421061.1964 1262932.5568 360452.3768 249486.3903 126308.8498 6243424.7518 1689136.1535 1660749.5382 1698340.8915 1692620.0512 1679100.6440 1676835.1314 1666341.2346 1750184.3751 1703930.9763 1181164.8681 1210653.4563 1195551.6434 1236674.5118 1253913.2154 1259360.9536 1287033.0267 1696335.1358 1740030.8019 1724846.6080 1751723.0152 10485.3500 10337.2861 10683.9129 9960.6345 71523.2035 81214.6670 94885.5951 92367.5501 169939.9126 165052.1788 179466.4257 184631.5457 2122062.1308 1724422.7629 552299.7591 8786698.0563 17352548.6327 87871.6733 604922.0861 2776690.6343 57787.9987 1733994.9658 854239.2238 6400154.7931 7326985.7447 4916807.1121 3795688.3443 2038530.3468 902789.6438 1860008.4903 146606.7670 1688660.4548 602910.8431 635773.4475 1302580.3673 1267540.3288 1457226.5249 129999.4974 52947.8726 112898.5211 1287939.0504 882854.2232 1048171.9101 759320.8237 1414384.0789 1579839.3904 1743549.5594 164307.0246 2767105.4129 108623.8688 64888.6913 239632.4441 glycoursodeoxycholate Glycoursodeoxycholic acid 999492.6989 1361768.1229 997426.5768 1007090.2839 422830.0970 1265934.0996 361336.1609 249770.8933 126929.3896 6302040.2771 1692612.5408 1664384.9228 1702519.7140 1695585.8464 1681247.3724 1679877.5253 1669134.3171 1753978.4380 1707549.2608 1187685.5207 1214762.2417 1198715.3791 1243486.4248 1256265.0485 1262364.3901 1293093.7668 1700436.2045 1742786.0371 1727458.7858 1754359.7969 10594.7018 10664.8673 12728.9744 11771.1828 72954.6838 82744.2140 96076.8470 94349.4761 171949.9891 166511.4948 180302.8723 185353.0915 2122834.1121 1725908.2329 560693.3369 8805168.3608 17366835.7819 88857.9181 605476.7624 2777629.2749 59370.9159 1734833.3812 854561.6108 6409364.3265 7339422.8645 4919454.0743 3798571.1257 2039391.3091 903211.2450 1862890.9908 147089.6400 1689109.2047 604941.0011 636994.5582 1305277.8615 1269317.7149 1459397.5691 130385.9294 53397.5461 113423.6305 1288253.7142 883083.4966 1051537.0061 764291.1100 1425830.6896 1584500.6953 1749458.8239 164665.2778 2772947.9051 109206.2710 66086.4355 240409.9011 hippurate Hippuric acid 70834.2500 87132.1234 67441.3046 138294.4347 255215.3361 69689.0115 138919.0504 94012.8986 105325.6025 4073858.2156 91204.7350 91103.7592 91079.4231 90337.0342 88494.2624 86417.9726 90141.9205 90366.1238 83668.0183 143758.0602 143990.6843 134932.8743 140638.8458 140366.8293 132415.7909 144226.9726 91442.4469 89701.6800 92731.8456 93613.5246 47485.2066 48370.3012 52169.0642 50263.2298 70968.1996 67991.9572 69364.4545 66624.6084 86849.3001 84877.9548 87363.9292 89819.4248 56985.0128 73222.9731 30454.3580 199773.2172 75653.0124 84253.3350 23057.9994 10252.0512 25197.2762 53005.5554 81744.0747 87272.9991 87171.0924 88766.9720 99263.5248 67546.5976 81873.1130 81940.2094 130430.0270 61992.5651 96911.2509 131690.3661 107016.0717 91912.4181 103528.4868 97997.2721 107853.4816 68672.4165 91533.6932 82354.2820 70883.0133 151104.6910 139908.8773 153661.3192 321659.2262 78874.3321 79402.8817 111095.7027 65679.2209 93766.1526 histidine Histidine 313583.1039 277154.8725 337939.5926 301356.9959 343735.6492 383188.0750 328621.3210 323771.9865 293322.6685 313406.7958 4502 3648 5225 5715 287302.2405 277207.5152 281080.5216 286965.9409 270688.5500 279252.9602 282851.3208 268527.1815 275004.1687 321195.6724 322682.3618 328039.9971 310952.9940 320771.3807 313179.3201 317440.2165 286293.6527 286491.8062 279413.8726 269764.7814 229659.8804 223763.2021 224276.3828 221089.4298 188537.1237 191191.6653 181139.5501 173516.2889 297232.0215 291598.4794 277449.0105 283847.1955 307573.6567 295904.7291 324232.3460 328080.5900 328082.8812 298967.2858 344886.1313 313899.3782 309660.0150 318099.2591 281520.3987 320188.8670 302935.5683 300698.4114 300007.9056 353729.1796 340115.9919 341663.0486 326862.9282 355061.0039 369796.6037 291204.8369 302878.4875 354980.8035 340556.2658 323253.0672 328728.0427 294274.8969 297141.1016 290446.8058 299441.7429 299930.7425 363888.4382 350863.7022 337420.8854 338828.9311 336058.8597 281948.3103 340269.1192 361982.2776 hydroxyphenyllactic acid Hydroxyphenyllactic acid 35049.9876 41909.6748 67463.6302 48111.5223 94316.6365 58038.4216 52512.5855 42447.6875 17583.0595 24647.5339 50790.8020 55277.1088 51793.0410 53766.2630 50644.0996 50144.5152 49930.2576 48488.5747 52345.5875 149494.4192 130087.2484 157335.5222 145525.8986 143699.3463 128733.4622 106599.9547 55173.5149 57125.9614 51713.6979 54283.3102 56650.6805 58200.1588 68868.1655 69463.1246 85876.2492 79031.7806 103167.1292 93191.8979 32622.6894 32949.4897 31850.0037 36934.8637 64683.7302 48055.7072 50050.0221 82343.8630 40340.1759 67167.8348 25089.7186 31324.8400 29576.9490 20064.3162 69248.0931 52484.3236 37451.6867 58005.0155 47549.6233 62700.1915 39865.4971 27539.5293 43246.8154 35012.5993 43152.4185 41338.6400 47502.8696 51833.0043 52123.8717 40134.8778 39639.2443 49064.5570 38549.9901 25196.0811 68933.2164 48798.9318 66681.9667 58551.8442 59000.3223 50721.9665 62618.5953 36486.1374 45245.9580 57104.6409 hyodeoxycholate Hyodeoxycholic acid 249816.7685 72713.0855 143636.1004 125316.1140 13392.9638 25889.9441 14757.0602 49005.0933 16600.5876 9072.3625 266214.8347 317503.2084 293157.1816 258359.6224 230586.4362 292771.9076 272077.5486 322391.6937 325644.9302 110047.8542 70216.9831 59935.8971 47141.4109 86697.4137 61324.3777 76190.2839 314945.1836 262838.6343 298155.0327 315612.3144 91148.5441 90799.2639 88632.9814 97347.8137 16638.1532 16282.5500 14834.8732 13568.2923 27769.7064 31624.9490 23329.4397 35433.0500 130252.9958 196216.8931 145648.4894 1002225.9622 381180.0690 68908.7189 48845.3754 165932.6822 30079.2430 100024.0016 261984.3961 353808.1996 544137.7692 242790.7818 194060.3995 176518.2511 68013.7087 152267.0795 36847.5015 127448.3662 23798.2439 61028.6041 124702.6056 103219.1308 26405.4018 66567.6070 42788.4394 59948.4566 99351.0909 100402.4848 126765.0513 152141.3618 48744.8331 47495.7739 141150.0772 20868.1975 79627.0837 40502.9654 35935.4846 202471.4977 indoleacrylate Indoleacrylic acid 16381.8866 18464.6543 19128.2148 17465.6412 23682.6246 17537.2746 14622.5271 13048.1825 13192.6800 12017.9545 19004.6102 20334.6447 19182.0913 17768.8596 18711.0183 19619.0847 20782.5780 19208.7299 18356.6966 14577.9779 15304.6020 15579.6999 14821.7053 13833.5126 14354.9948 13996.4503 22027.9341 18430.3755 20114.1894 20605.2578 42651.3253 44898.0598 48600.6208 52492.7320 34606.8899 24936.7291 31734.1441 27752.6053 19838.2485 16923.7477 18373.5193 17086.5783 20888.4235 21266.7918 25491.1750 24278.2485 18713.3582 23229.4168 14760.8576 12618.1786 8930.4344 9781.7178 21802.0516 24719.9366 26722.9380 24737.2099 31763.1045 17202.6606 16962.0857 16051.8454 14106.0953 13851.4286 16915.1185 19158.4866 15566.1634 17309.2202 19134.4030 12001.4644 13987.2223 17140.8625 13200.4382 11686.6929 19718.9092 18593.2991 18151.2833 16575.2055 17032.5820 14357.4571 16764.2013 11150.2356 11553.7679 16795.7220 indole lactate Indolelactic acid 3884.8891 2739.7920 4204.7570 5754.2412 3314.4283 4164.8204 4181.2573 3388.7556 3695.3943 2823.6754 3520.7629 4031.5035 3976.9490 4297.5168 3926.4210 4184.7579 4118.5696 3509.0792 3721.1298 7289.7478 7706.2160 8445.6614 7926.0195 6879.4603 8559.7934 9158.4472 3591.2841 4987.9600 2989.8633 3969.1546 5891.9343 6698.2216 6962.7517 6029.0593 4466.7528 4186.3127 5285.1540 4188.3762 3672.8840 2979.2373 3003.2007 3106.5438 4865.1396 4011.4211 4328.8353 4018.5573 4479.3870 3820.0588 2053.0351 3504.4407 2800.9002 2149.9210 4703.0488 5353.0315 4069.3573 4645.0288 4882.6870 3059.9713 3835.2652 2921.7496 3222.9783 3257.7579 4877.7480 3893.0571 4619.7018 3776.1700 3117.2435 4675.8376 3815.8950 3569.7224 3546.9826 2325.1635 3887.8841 5189.9295 4287.2535 3412.0272 4262.5495 3278.8675 4330.7319 3108.2457 2899.1717 4374.0397 ketoleucine Ketoleucine 15720.5262 14747.5269 9081.3440 12536.2599 8070.1764 6721.1451 11717.9224 16219.1815 14259.4207 10043.8518 17751.0684 18351.8996 17678.9414 18046.1868 18842.5612 18232.3688 18895.6147 16098.6444 18019.4723 11942.1251 12241.4717 11566.6719 10282.5828 10817.0132 12727.5980 11176.5700 16876.6500 17632.7046 17768.2346 17915.4841 260860.7046 254690.7317 293357.5002 274608.1866 7623.6734 7165.7205 6578.2595 6133.4905 5086.3155 4831.5035 5161.0658 5727.3780 7411.4040 17114.6929 9735.5183 13680.7347 12194.4727 14596.2997 6358.7044 10853.4792 9350.3239 10998.6719 11060.4469 12004.4947 11795.2370 15416.1773 7700.5837 11916.2882 5941.7201 10653.1602 15618.6126 9376.7280 14516.6322 13525.9147 17278.4607 10033.4943 13311.7515 8528.8713 6685.2046 7688.4196 9875.8989 8208.6034 14962.5816 24902.6913 23934.2578 13628.0420 11312.5501 7493.3695 11466.9851 11668.6086 8494.1250 5584.7149 kynurenate Kynurenic acid 2337.3105 3359.1245 6155.7300 1900.7607 2622.0451 6150.6929 3465.1688 4880.7727 2204.5566 3319.3753 3934.6267 5798.0773 4752.4095 4685.5500 4997.6047 5066.5281 4490.2436 5521.4522 5308.0197 10017.2767 6557.1550 7086.0775 9896.3491 6725.9242 9370.3838 8354.1750 3896.5459 3783.1255 3961.1823 4838.1697 8725.6074 6355.5034 6538.1099 9031.4197 3805.5808 4274.4868 5516.8822 4532.8034 4548.8831 5006.6862 5396.0007 4670.6367 1353.0113 2275.9557 3022.8274 2947.7446 5518.7445 6951.4250 4357.4427 4572.6259 4208.5339 3388.0679 3093.9748 2764.2220 3084.1737 2613.5474 4969.3414 5444.5970 2217.5440 3317.9286 2525.9107 3862.2325 2531.6994 1833.2383 1999.4019 4034.8787 1905.5541 3604.3641 3936.5098 3261.4124 2263.0875 10943.3901 2618.4607 5865.3385 2492.5637 2235.0742 2237.6310 3766.1496 8641.2905 6981.1366 3594.6582 6055.7506 lactate Lactic acid 605182.8734 496159.8552 509504.8069 929255.1288 466996.6202 1015237.3579 400690.7747 442292.2356 232522.4214 27522127.7830 21901 21167 27325 31441 12977 12604 9710 13280 15164 717393.1813 705172.6810 740838.5781 718779.4013 721604.7551 717777.9304 736143.7391 742768.2708 745865.0906 996191.5936 1035325.1759 1014655.8475 1051581.7104 1082642.5133 1072407.2730 1093625.0068 720968.6361 722710.5780 702101.7076 743709.6303 1499786.9465 1529866.2709 1612361.6387 1530716.4362 870618.4862 874726.9076 908816.4882 908212.0594 866244.7864 851819.8694 860549.8755 914739.6941 1237456.5768 1092070.7055 497050.5426 898202.6643 1064593.3389 912995.0623 464122.7474 480266.7214 391647.0341 402733.7857 1090210.7225 694294.0947 785879.9296 910530.4575 495458.9005 645102.9196 753405.3532 600218.5360 526784.8437 492169.8557 738884.2632 767450.9598 925489.0285 761253.5136 959837.2108 498189.0866 465188.6673 629056.8725 605871.2938 285993.2883 921679.0190 782330.0733 799046.4396 860575.8796 809031.7331 664462.0218 761262.3852 490058.6292 331520.5347 969477.2968 malate Malic acid 1354514.7564 1284851.9088 1504818.1223 1660366.6746 1775242.3954 1475715.8125 1286176.7709 1175181.4487 870365.5330 913876.6061 1462419.2103 1400729.1924 1438387.5925 1445691.4323 1431729.1201 1370692.5161 1378019.3809 1531489.4811 1418678.1708 3078441.9984 3484727.1067 3368000.6173 3485887.0370 3285177.9188 3358600.5157 3280206.8590 1399316.5860 1477076.6787 1379480.6493 1442875.1714 165310.9886 165124.4606 173382.1289 163177.3474 2431221.7434 2485000.1517 2240918.8104 2420602.4007 1715175.4044 1793499.5401 1837567.1618 1772798.9530 1769968.1700 1614053.7726 1813767.3375 1986292.3409 1981502.9707 1802137.0979 1564385.8026 1213248.3189 863704.9707 989995.3153 1634805.7416 1872173.6462 1753759.0103 1853584.3395 1918798.3821 1690497.0533 1950377.3962 1776225.9182 1332842.2811 1501383.0793 1439633.4550 1299210.1198 1503425.8979 1402702.0379 1679086.9892 1165600.1326 1338797.9167 1668348.6506 1242916.4121 979962.0063 1810665.6801 1240365.2659 1471569.5846 1670552.6596 1625372.2085 1518056.9975 1648297.6867 1243199.2359 1222144.4248 1679109.2714 maleate Maleic acid 716640.5174 1972721.0822 1502067.7512 1799339.9730 1700472.7115 2522348.1176 2568305.9127 3163518.1585 1952957.6572 2610830.4225 1955431.6414 2599246.8464 2335360.2824 1900408.0910 2594685.0983 2175023.7733 2640655.2469 2330075.0149 1434923.0593 2634381.8261 1096324.0607 3911138.0034 3401712.4013 2664235.9355 2401394.2186 4138213.2604 2636537.3541 2868513.2421 1807532.3666 2061572.2524 181110.6450 210711.7040 316835.0994 156770.3787 2206271.2508 3783129.1881 2433577.3996 2283038.7341 3389874.8702 3361636.2551 2161552.2748 2092427.5679 2477791.2253 3071599.7562 2684139.2090 1070621.1994 2713556.0684 2709032.2872 3582626.3851 3070099.8892 2087938.8826 3488862.4402 2083442.0191 1770594.1896 1894675.0070 2709870.4068 2352029.3818 2166268.9252 2451145.5298 2706733.2391 2569528.3886 3780217.2077 2141370.9278 2285944.5239 3011361.1472 2535373.7076 2217623.0287 1962431.1213 2578243.4364 2442638.2049 1789571.5676 3366521.7331 2476303.1953 2067649.9044 1678326.5249 2477362.4854 3165634.0432 805039.0784 3304629.7992 2890322.2914 2797524.6867 2136695.0207 methyl-3-hydroxybenzoate Methyl 3-hydroxybenzoate 3113.7095 933.4929 2633.1811 1727.1262 17793.8711 1568.7192 20176.0803 5614.3951 2263.8176 4995.7008 4349.5825 4079.2281 3717.3899 3745.4969 5449.5497 4190.8832 3900.0377 5104.1982 6096.4279 5607.5780 4172.5007 7098.6275 5104.3649 6581.0082 5297.3574 6324.4527 4508.8357 4602.2167 5430.6521 2441.7503 2972.3793 3079.6689 3398.2908 3626.9561 4688.9336 6175.7479 7185.5599 6630.5279 1957.6450 3051.1029 1295.6112 3116.9687 1556.6200 4797.5116 3343.9091 4221.9782 3183.7744 3745.0340 2212.2996 1538.8281 1978.5219 3551.8184 2508.5860 3782.1027 2138.3286 2909.2336 4509.1634 2845.3678 2752.7125 3817.0707 2605.6242 3806.6492 2385.3530 3241.7614 4715.1153 3972.2396 3511.3871 3363.6170 1705.6757 11390.5457 1873.2415 1509.1070 12742.5917 13439.6607 2351.4080 5348.0657 2680.1017 2291.7541 m-hydroxybenzoate 3-Hydroxybenzoic acid 10355.3576 9292.3802 11269.7779 13127.1382 21011.0511 15638.2190 20714.3643 12869.4053 22510.3918 15385.6865 13152.4415 17095.3620 15391.0111 14451.6181 16438.9533 14297.7846 17513.7278 16202.1168 17854.3238 33461.3314 44437.6484 40463.6771 38658.0187 39715.2966 38732.5459 33182.9874 13019.8500 15015.8561 15056.0087 14683.3241 5965.1638 5112.1211 7151.4811 5110.6094 7215.5977 7738.3240 11594.9533 13516.5303 11893.9013 9936.0880 10571.0471 12902.4207 7974.8050 11010.0542 5287.5419 9413.1316 7154.5042 23396.5081 12272.0768 19053.5411 12387.4657 12961.0500 5988.0110 9839.5924 5438.3183 6806.1306 12867.9957 18085.1563 14047.0505 12921.6335 15024.3927 11596.2768 9675.5170 14077.8821 6828.7855 9096.4910 6869.0799 16542.0982 18136.0223 18918.2362 18411.4845 12995.3040 7938.3063 15348.9613 10977.1769 13706.7780 14391.5169 18778.2231 11626.2033 16743.7551 12238.0715 24498.2060 N-acetylleucine N-Acetylleucine 30509.3827 26351.4163 24146.8871 31602.0348 34397.2986 51256.8058 50197.1792 49071.4824 26509.8324 25370.7383 35020.8535 35129.1537 31184.3763 34840.4799 34151.9507 34326.4930 32632.2571 32676.2115 34022.5344 20127.0395 18309.0526 19939.0251 21452.4200 19450.0672 17893.4443 19650.2109 34707.6136 33694.4536 33620.5904 34315.2729 2500.8560 3626.1126 3202.1666 3452.1912 45036.9977 38593.9138 44234.5843 44868.7330 27514.2986 28546.1980 29904.8196 29328.4672 31879.3327 31552.0783 27545.6330 37514.2720 34678.3935 43293.3047 33743.3418 28932.2020 26407.6222 21235.1851 28236.6682 33348.6084 26724.4748 43377.5674 26004.1558 37599.3712 41435.5400 35469.2031 40150.7147 29975.3588 39300.1342 30063.5729 27915.7400 24737.1931 33519.1587 38442.8524 33043.3578 36883.3789 37734.2263 24398.6378 34982.7739 34694.2268 31779.1912 30183.8633 30995.8151 45032.8369 57807.3603 25425.9926 37176.5071 42705.1448 N-acetylphenylalanine N-Acetylphenylalanine 7155.6781 3871.3768 3877.6097 7025.9817 3205.5476 6808.9100 8638.9918 2364.6189 1673.3242 3051.4906 3165.9189 3539.4705 3758.9090 3268.8308 3049.7869 3765.2251 3256.0134 3856.2262 3064.7661 20789.7122 21642.2578 23903.5752 21264.2699 14171.1998 14817.8630 19058.1574 4352.2647 3418.7710 2757.8958 2166.5142 3258.3344 4364.0582 4471.6458 4597.0894 6040.3971 4243.4484 3577.4137 4938.7322 2388.6231 3266.6978 2949.1541 2500.6945 4367.0200 1635.3843 5713.3826 6389.9158 7035.7204 5981.3319 928.0547 973.1662 966.2725 760.6525 2871.3587 3099.0603 9070.8233 1722.6493 9772.2343 1665.1069 1259.1738 1803.4979 1669.4711 580.0693 2376.3574 3347.6678 2451.7522 4024.0119 4201.9853 1439.9582 1268.1764 2303.2074 2433.8144 948.7885 7751.8397 6820.2477 5310.3243 4071.7310 4852.4691 3666.4443 7818.6384 3223.5250 3620.1529 4882.0658 N-methylaspartate N-Methyl-D-aspartic acid 121702.8021 87892.1170 86261.1232 123784.9089 149257.7597 100340.1429 90991.5422 143101.3336 99426.5220 84951.6058 97679.7281 81685.2026 84220.4771 101502.4155 89135.8694 87454.3026 66781.9359 72194.5911 94597.0305 137673.0282 147831.4896 207925.6308 148684.9351 75005.1923 74882.3776 131709.2452 74021.7227 87308.7213 89457.0552 58647.0593 21026.9379 7747.0277 15578.9070 61965.2406 58078.2108 33769.8340 31859.9770 32426.0874 65829.3717 73243.9563 49024.1675 65704.3442 118673.4129 71293.9396 46637.7121 58550.6026 64025.4845 90188.9805 95857.3080 88094.5643 96137.8571 134593.4289 49221.3275 79317.7425 44863.0555 123606.5712 57471.7515 111439.9915 94282.5689 107684.3442 125780.0277 94570.9332 150356.5607 54325.9002 129093.3971 165510.0815 161621.6700 155700.2798 118204.4028 122321.8709 111359.6600 130200.5316 112613.8013 121310.3162 124436.2924 165200.4239 291160.8113 81308.3131 136611.3062 100151.9330 111855.4486 124809.3679 omega-muricholate omega-Muricholic acid 667512.3047 91883.9225 267406.6413 125355.7508 161978.0005 57214.1174 233268.5446 128408.8632 30259.8089 41681.3568 208658.6794 225641.1748 213853.3963 207191.8410 205948.5463 204146.9530 212717.8617 225682.7074 234659.1838 296395.7567 270361.4480 258812.1211 264623.3078 248129.9865 273388.4248 273225.3726 211822.9134 200786.5311 210596.5121 211135.7150 19230.0648 19863.0389 17090.9983 22044.6110 24162.7055 19790.8905 20549.5132 20679.5451 35380.6161 46663.8087 52162.6931 48400.8803 46160.2157 21640.8257 885111.2050 455735.5179 278978.6595 115293.1127 70641.0629 23269.7847 57961.2672 9271.7411 28779.1358 172079.7837 805148.4965 50386.6430 296837.9430 39826.1772 61027.6838 800042.0085 91600.6075 103114.3306 728318.9665 82246.7097 96706.6352 214852.5671 57443.8498 64975.7206 42296.3139 82656.3715 23111.2427 44767.9797 148390.4503 154479.3096 49601.1692 48178.2850 201417.1735 47880.9289 235118.9327 90874.2827 48065.9396 379434.6904 phenylacetate Phenyl acetate 3727.3447 3887.7008 4885.7702 3260.1964 8095.5643 10648.3258 3939.1854 15804.5197 12400.7684 9554.4334 8385.4698 9214.8943 10325.9900 8794.7204 8845.1282 7889.8944 9740.9489 8922.1937 8082.5522 7932.4016 7347.8707 4561.8998 7371.5432 5476.5542 10210.4446 8815.1543 5582.1597 7712.8770 8942.9778 6975.4013 2748.3959 3501.6202 1854.0396 2207.2198 8130.7724 6276.0816 8022.4663 8754.6269 8946.0376 10489.2854 12877.3124 7022.3679 3825.1379 4605.7146 1872.1980 4369.9345 3957.5355 19688.4590 2508.2536 12242.6298 11280.3252 6355.7956 4747.0732 3692.6695 4722.3124 2757.2640 3557.7072 7991.3035 10092.6327 8923.3257 8320.8416 11549.5209 4406.7362 3942.5807 2408.1905 9947.2795 3822.5450 6322.5856 9550.0979 25647.0365 13325.1567 14655.6993 4331.3208 4615.2116 4944.1927 3857.1184 11652.8262 17031.0037 10360.8448 13808.2775 11164.4005 20264.3891 phenylalanine Phenylalanine 1528830.3786 1237827.8879 1736689.2276 1666877.0374 2186850.2437 2308204.2698 1134381.3206 1235357.9186 755082.7387 71491930.3736 1442056.6526 1437489.5670 1480698.3416 1480168.3793 1462387.3857 1485009.1306 1493665.8776 1432527.8305 1461318.8715 2098648.6111 2148524.9778 2093358.2418 2130534.4113 2133862.5157 2128072.5741 2121535.2852 1472521.6878 1489493.5689 1459547.1188 1450873.8138 684106.7457 702046.7882 758182.7562 742046.3177 1355351.9065 1338093.1454 1408967.5444 1404948.2316 1088687.7409 1072881.8016 1130994.4578 1167139.4231 1818830.8322 1589248.0221 1670013.7112 1742950.0946 1464147.4960 1974383.0902 1131393.5255 1100410.5393 820676.0843 828504.4329 2067045.5141 1865521.0690 1577212.2876 2111801.5949 1727239.5786 1837494.0564 1520519.8727 1377447.1617 1296116.1155 1161424.9708 1673223.0515 1692364.1490 1360464.0976 1388476.8524 1921498.0101 1169945.5232 1116216.5099 1576292.7498 1260751.7148 908982.3639 1691391.7533 1411517.4629 1739679.9031 1386883.3877 1719655.4386 1363401.9616 1583430.6632 1060078.2956 1188790.1289 1941432.1459 phenyllactate Phenyllactic acid 1657.4834 1010.6425 6111.8041 4176.2805 3017.7578 6030.8008 5193.1718 2760.3517 1980.3618 24981.3700 12975.6609 11653.4875 11347.5982 12886.7116 10842.5863 12620.7626 12278.1579 12235.8070 12559.3471 7707.1792 8822.8201 7840.2141 9343.2698 9421.0050 6694.6584 7939.1862 11379.6109 11483.7365 12897.5995 12513.2583 5618.0240 5642.2977 4122.0177 4781.7355 1484.5430 2091.5596 1998.1681 2021.5544 2252.8147 1948.0669 1898.3206 1730.2727 4789.2991 2550.4960 2836.1698 2442.8471 2684.1942 57290.4911 23157.3396 81282.9585 41440.8983 20654.8952 1888.3892 18293.6440 1751.1555 3805.2121 4663.1508 21082.4976 8416.3418 3146.7339 5874.7887 37451.1109 5058.4895 2268.6703 1307.4984 2554.8992 2357.4657 2084.7540 6031.8120 2994.5913 1483.5641 23759.3029 1918.4857 9655.5683 4739.5648 2678.5675 5018.7064 1874.5973 3777.9275 22029.7517 1469.0850 81600.3645 retinoate Retinoic acid 31874.3082 29703.8513 36983.8362 22519.6011 28417.4727 52829.7746 37224.1375 79611.0059 104758.1608 34864.7926 14618 12426 32935 21670 12943 13425 11070 17524 15144 47139.6605 41340.3590 43479.2387 44760.0785 47281.8757 51476.3819 45757.1689 49692.4319 51367.4114 81060.2815 82609.4060 78234.7344 80419.6768 82334.7476 82447.8348 81786.5234 50422.9898 47841.9479 48029.8171 47431.9761 20367.9977 17933.8532 22860.3784 22529.4546 35840.2474 33012.1191 34634.9141 37108.9114 24297.0658 18752.4193 27421.9593 26719.7415 53407.4155 20283.0522 29294.9092 35103.9278 24028.6504 35118.7216 27515.7773 28019.8212 19934.8905 38939.4576 34174.9334 35244.0763 31373.5639 30231.0765 246557.0143 31757.4302 28520.1543 41183.1970 29397.0371 31912.5216 29675.7836 41115.0167 25387.5208 24177.2205 21901.5495 30688.6714 38123.7936 20635.5141 23773.2811 24387.7388 31779.3504 25129.8225 25074.9135 28700.2219 24814.0120 47829.0119 65665.1144 46191.2638 18794.9603 33950.9974 S-allylcysteine S-Allylcysteine 443229.1425 464345.2502 1292573.8574 541210.8800 1116070.6930 821311.4838 644436.0599 481661.2839 374522.8057 269317.3024 700138.8726 713320.0409 707676.3573 727352.9843 733457.4671 721381.3544 698565.6165 749697.8181 714442.0481 1201030.8891 1202173.8356 1091668.1798 1076547.8324 1018796.2028 950074.6153 923408.1697 708702.8019 752727.5543 709597.8854 745627.7126 7533.2925 7814.4311 4560.7288 4800.0907 761675.8394 779504.1981 688658.9402 714925.0025 637412.5406 647698.9904 638640.0956 610086.0100 545895.6097 301646.2201 594335.5261 473584.4638 523935.4458 728303.1375 646954.8189 365794.7882 291303.7344 240072.4003 285118.1183 291593.2529 484639.1828 75227.6124 49759.5200 543444.4008 723087.6382 573225.3177 367840.6004 611811.3135 701524.5291 558126.2934 440806.0853 587550.2572 654961.5156 362616.6055 445370.4396 433105.5084 405644.6122 300254.5197 869818.3081 624045.1516 452396.2206 476289.5992 646814.6606 577565.4096 1153480.2706 475814.7708 533199.5916 462913.8145 serine Serine 70840.4981 38347.8855 78228.0628 75529.1745 91852.5644 62996.7734 31143.1433 27802.9879 26086.0407 1868409.4727 4075 2200 3163 4509 3268 3181 2708 5568 5886 41675.9405 40449.8054 39574.6716 39896.5753 37298.2403 39353.7866 42042.1588 40443.8635 39760.8565 65375.1257 68777.4952 64668.9578 67620.1175 62971.8749 66166.3810 61522.6322 39605.0870 40389.3075 40669.0523 38867.6074 17581.6214 12950.3760 17113.2804 20589.0942 35104.9774 37376.7244 37069.5854 36161.7431 25848.1448 26686.4139 25445.4836 26925.6843 55827.0409 53285.1807 63526.9255 67139.7403 81354.8300 28503.1073 36300.0548 30581.1529 23195.1430 27102.2447 39788.4587 62814.6866 78431.6313 95116.5568 63714.9378 31344.5744 43902.5309 53539.3753 27743.9682 27047.3805 89448.6930 52731.6320 51717.4400 64882.3273 56760.3007 20842.8230 27488.7784 25344.3397 28537.8076 19454.8406 49018.9728 53300.5239 46045.0782 49863.4908 67417.4522 31584.9068 42277.2754 26888.6203 34912.9122 34454.2848 sphingosine-1P (C18) Sphingosine 1-phosphate 801340.0429 602618.8571 697076.9715 595727.1098 896476.2674 370999.3699 535327.6761 503227.0982 1035481.4424 814651.7343 6345 14743 79576 35326 18532 27397 13223 25037 14441 652025.9213 658171.8908 652627.1180 660481.3843 605953.0968 613259.6487 594365.6380 618127.2475 625548.8126 315215.6967 352148.5065 402499.0137 382828.3989 380666.1410 352433.8714 347475.5396 699253.0542 665694.8920 656437.1254 560361.8022 253453.5734 247076.6658 243290.5071 247646.8288 478840.8572 501862.2485 432334.7079 449037.0413 457221.7827 332549.6554 429099.7369 346482.5849 640583.8143 667082.9740 482812.6036 609376.5673 539426.3911 801362.0683 844320.2108 701734.6049 615520.3330 667301.2139 252061.0665 992592.7042 372160.4473 617718.0735 583264.5745 597701.6791 500794.9856 1508463.3099 782335.1716 607448.1045 733355.9130 1368119.3926 619040.3458 680023.4738 780580.0099 654387.8217 1089327.5987 711148.5763 727287.1077 803829.4573 513668.2258 675449.4392 532537.2383 635252.0889 658170.7012 594954.5004 535650.8147 470129.8922 518003.9820 588271.1347 succinate Succinic acid 602620.9626 559712.0830 840010.1199 838451.6430 675559.3733 983544.8918 456796.9053 554834.1926 307440.4442 301965.6930 715767.5318 714365.7767 713100.9971 726015.8143 739515.5903 721323.4455 725913.9219 760422.6364 695587.8930 589491.5188 547901.6681 574895.3476 535689.1579 533044.4973 550159.0757 549389.5929 697994.7066 687813.9321 752907.7666 755386.5802 1108761.0884 1086940.8039 1100438.0042 1142531.6022 1150866.8867 1100203.4950 1186307.2114 1193561.5802 815580.6424 748580.5310 829413.0986 848300.0291 846500.0029 710619.7410 731148.6221 731717.2251 757708.2684 711957.6267 538770.3329 507347.2026 404150.3252 376396.6133 788524.5553 789133.1505 840964.4126 703424.0515 957273.1036 641918.9327 835967.5241 610659.3127 504434.6319 571628.2556 532606.5369 737558.3485 666443.8602 610462.6282 711883.7820 525972.7943 392723.2014 737169.2867 569006.5647 382745.6265 791679.5544 577514.3351 597104.0511 668487.5356 602835.1391 638730.4054 681785.6344 474227.6975 330036.6893 659721.4039 taurine Taurine 2706964.8250 4854293.8483 6482355.8244 3353240.8828 4230538.4905 3276403.0193 4800995.3503 4146970.0193 5074916.4868 7150520.9668 22765 18972 25136 56503 57169 58033 57500 126630 124626 4522003.9502 4459006.4740 4589036.9635 4670891.9890 4540602.8876 4658630.4398 4508683.4365 4532706.6854 4399980.4900 8271012.0684 9194994.6256 9309529.2297 9046120.4743 9202757.5046 8726583.1372 9088802.6806 4374411.3046 4609303.9626 4681580.2682 4517403.7193 5218931.9741 5161046.7188 5215020.6702 4984872.2007 5189564.3993 5285689.6264 5175351.0341 5307511.5860 5160043.3238 5204713.5541 5279286.8379 5365701.9404 5144291.0585 5316508.5466 6059206.8532 3596966.7299 3164726.4469 6027959.0631 3888211.4862 5256869.6783 7429289.5387 6818585.1837 7732091.0638 4882617.9808 2868828.4851 4339169.4793 5731186.7316 6454527.4919 4196433.0335 2552101.7981 6384874.1257 4879778.3423 3465135.0398 5246897.6411 4497534.1836 3275467.7389 4673593.9502 7661358.1452 6705172.0779 5739729.8613 6429884.7643 5482461.3246 4386092.0458 3288032.9817 4459268.1725 4990381.4465 2497585.7251 4562713.1819 2008573.0315 6367982.4576 6427867.3163 3808628.7259 tauro-alpha-muricholate Tauro-alpha-muricholic acid 4585164.5744 1932738.9261 2955912.0054 3462559.5442 4721293.6964 19314172.6137 12198523.8337 7281866.2837 4373130.2063 6118539.5449 5172653.1458 5097842.5916 5076390.2086 5176418.5758 5233186.8314 5184942.1515 5021469.7884 5138141.3163 5208676.2018 5720528.8742 6097142.5996 5731206.8508 5971721.3668 5904450.0088 5773388.9995 5836022.7451 5130254.8933 5084342.3011 5206301.4600 5148300.9732 220389.4598 293189.3592 384274.4113 378053.2269 2735796.2761 3256138.0049 459159.2923 415173.7720 3460932.9599 5309101.7351 4706534.4791 2806372.8791 5735838.9965 8449353.3489 7924791.0826 4545580.3076 525988.4949 394131.2169 1255951.2695 3486565.0135 3510490.3455 1771506.0877 3073325.0212 6977979.0056 798477.5857 16221388.0742 510496.1473 4466155.5946 3367117.4811 2461065.6606 4616713.4271 3937415.4824 4873136.7398 5632636.1115 4333167.5746 7491645.0825 4395366.2109 411539.8438 4101279.9219 1988074.8045 3658121.7620 4065887.7447 2674226.9085 346038.3746 14937983.5880 5878315.5832 11667926.2820 3920081.5492 tauro-alpha-muricholate + tauro-beta-muricholiate Tauromuricholic acid 3481908.1112 1932738.9261 2955912.0054 3458493.9131 4749424.9237 19448863.5240 12376044.5314 7347988.5191 432394.5018 6121969.6168 5180257.4770 5366734.2715 5116497.5015 5176418.5758 5115518.0003 5240823.9932 5340021.3493 5138141.3163 5208043.9902 5770181.8316 6096961.1366 5839531.3908 5960456.6904 5783721.1926 5626105.5086 5945282.8453 4926296.2677 5070642.4216 5008344.1483 5168607.5925 606304.2567 297162.8742 384251.0409 404249.0797 2797014.2156 3279261.0579 3634881.2027 412953.8730 3455276.3330 5220863.1824 4705527.1534 2807404.2816 5752617.5341 7878076.0489 657619.7884 339414 524733.7426 386940.7378 1248058.0742 3479549.3541 3581280.0490 1815462.0664 3091463.5444 427325.0092 797512.1484 16221658.6629 8665755.1609 4466155.5946 3458787.6347 2461065.6606 4707163.8161 3908442.1870 4877460.1599 5619932.3631 4333167.5746 7446829.8026 295218.4688 411539.8438 4087136.4581 2034891.5851 3658121.7620 4098712.6810 2615718.5798 346226.2734 14920885.5548 5877498.6267 11659238.6264 3971461.8164 tauro-beta-muricholate Tauro-beta-muricholic acid 3481908.1112 1934498.6557 2957400.3251 3467829.5891 4750025.8361 19378927.8202 12288952.1881 7347034.4107 4455277.9959 5753583.9719 5173224.4982 5366282.8828 5116497.5015 5108819.9438 5231978.4596 5232714.8115 5213270.8723 5140401.4449 5148349.9546 5770063.7264 6017041.9747 5853258.7407 5950975.8050 5904999.5246 5730619.5810 5875311.3313 5239261.6598 5187694.9812 4978048.8914 5163171.4603 223838.9101 316153.9218 368277.3811 402708.1472 2800702.6249 3279261.0579 3585231.7434 3645865.0801 3451271.8624 5220863.1824 4744725.1700 2807780.4056 5752617.5341 7876495.0278 8009935.7478 4556885.1490 527389.2619 433448.9618 1335291.8332 3486238.4483 3582238.6422 1814555.8578 3041774.8797 428697.2181 772135.0863 16298240.3364 508521.1499 4464630.1536 3459097.3382 2464717.7668 4707163.8161 3929570.3424 4873136.7398 5625857.8793 4333167.5746 7099660.1621 4042335.7789 413309.6655 4102412.4376 2002238.1506 3658121.7620 4098712.6810 2620756.2725 346226.2734 14920885.5548 5879384.2709 11608390.5635 3970266.6111 taurochenodeoxycholate Taurochenodeoxycholic acid 25334777.6617 18846350.3417 14610154.1053 24497631.5172 16118011.5977 6376615.3118 10324393.7879 9998 10844 13759 14384 22281 125715 11478 14768 13224 21004547.1229 20982502.2353 20452865.0152 20163208.4499 19985501.7691 20673007.9175 19392598.9697 20288763.1978 21224515.8525 29389853.6810 29726536.1644 27473068.1925 27858530.9613 28483543.8468 27187131.5553 27907643.8761 20653917.9100 20208945.7545 20705351.2467 19307826.0809 97078.4014 20543.5501 52722.8292 20266.0200 10098373.2021 10144993.4199 10202746.7353 10389584.9625 14134134.9959 14237576.3874 14457531.1187 14325684.7964 21049434.2917 21340937.3110 36323714.5381 34110436.4373 20939496.0557 26455903.0808 25588217.1079 13877610.4756 11177232.8853 21127405.3489 28926240.6701 24641254.8182 31900364.0945 22132040.5234 28249687.2699 13298266.2723 32045400.6592 20903432.2376 16368477.7230 22689360.3443 21744211.2710 46408091.5606 33988729.7003 21307942.5255 17313770.7339 18708237.7554 21306007.6811 15371663.8419 16577804.3446 34160897.2225 19917273.5043 30354637.1040 31821634.9824 33962067.5322 1568063.3500 17687330.7194 6798828.1154 6414102.4703 23999541.9067 taurocholate Taurocholic acid 436094002.1374 405408502.2056 447778618.5157 423469622.2767 621892662.4959 378417147.1674 496998653.9230 346354054.5684 301651397.4817 447911628.3294 118673 127276 305673 376494 127734 216340 202887 383650 371802 399093034.6598 397327163.2269 396953758.8030 391371518.2322 390465501.8839 396127709.2344 393320000.6002 395905198.5667 404489434.6704 439173420.0805 444199613.0914 436088295.8602 431951639.5746 437036980.2279 431948815.2619 437561985.7480 396882109.4581 395926578.5995 399190841.1864 392524566.0660 402799.3870 413400.3935 622819.0356 612451.3928 166531953.7267 169068563.5117 179130470.8342 180010594.9896 266334686.2735 264629375.7256 275779236.7994 273743487.0812 484004601.1283 452926299.6372 485664724.0465 443529228.7044 478129745.7260 433241443.3019 358411811.7100 433359386.0612 274263062.0694 310075593.4906 402914576.2062 451283943.7822 494053286.8675 434283278.7257 516143265.1615 448672910.1899 271999899.7229 448775193.4683 456455558.8495 325669492.8252 579226338.7336 462378124.6473 420358332.3585 468921585.1341 498713328.3197 375352254.2438 383498639.0521 427832022.1829 393311480.8615 333656620.9379 419516288.1504 288555464.1146 396409499.2945 391838446.2793 432807696.0071 301336183.3392 428798140.5084 409713753.4447 383876986.8137 319342896.0768 taurodeoxycholate Taurodeoxycholic acid 24572961.8138 17805377.9588 14042229.8804 23528422.0780 15470766.1071 15789946.7265 31787443.9654 6118946.4782 9932247.7200 6258259.8783 10587 10772 19512 14442 20027956.7709 19832991.3867 19294820.0998 19039450.8237 18847229.5724 19632463.7611 19398028.2029 19391973.1356 20506680.7273 28220781.9766 28626800.2237 27036459.1000 26761167.9932 27399626.0869 25997821.4630 27445426.7568 19604573.4380 19166560.0715 19714736.8697 19382151.3174 56863.3629 20521.0864 32086.3905 18530.7202 9920357.1858 9924257.6591 9956264.1281 10166150.7286 13826474.0756 13988201.0712 14135162.5774 14033594.4724 20378718.5663 20421481.9801 35329588.4951 31859283.3211 19535524.0953 25861019.8501 25004999.0515 12714717.4599 11229348.4264 20101345.0083 27449775.2826 23301800.1580 29953295.3447 20260193.7027 27008479.5849 12434990.7920 31329193.8216 20436220.7906 16160425.2581 21443683.7633 14073385.7808 21272324.7658 45067565.5559 32986304.9414 20763530.6325 16886033.0255 18178621.1609 20868418.9298 14385431.8075 15791960.2041 33167332.3742 19178488.8826 29365373.8115 31055881.2619 33044301.3881 1333377.8128 17379146.1398 6472952.3051 6209064.8438 23436154.6805 taurohyocoholate Taurohyocholic acid 2080050.5296 2775286.8897 3001374.4174 2917847.2303 3711456.3301 2532660.9672 4192455.4746 1912311.8714 2314744.2063 2826245.2697 10855 7847 7048 11268 9127 8742 5698 9881 9831 2708812.8248 2688033.1656 2755540.7762 2610061.6569 2604582.2374 2682089.3888 2739044.3575 2697251.5988 2710329.9185 4010681.4739 3953918.7926 3801197.6594 3871878.3055 3863814.0075 3807676.4495 3925814.6277 2617817.5952 2614468.4313 2776467.4567 2709773.1909 7716.0413 10108.6690 10109.6152 10173.4942 1003312.0899 991577.4849 936581.9080 959955.8376 1720919.3665 1731015.5744 1681528.2225 1626356.8795 2647304.6352 2229795.4305 3302722.3039 2717726.1316 2555063.7026 3954360.5595 2755986.3990 3624317.1615 1798798.0084 2123550.6008 2481248.3490 2524569.8067 2806194.8216 2338108.9796 2621220.0037 4205699.7510 3317878.6903 3342884.3990 4186524.4541 2371712.4348 4479988.2733 2818466.6643 3473038.2248 2808333.5423 2943777.7532 3008141.2180 3848734.7355 3512735.9421 3008517.0065 2358789.2930 2628377.2868 1022871.5255 2365519.3850 2567345.0609 2322859.4434 1773227.7108 3753978.9975 4326087.9205 3670801.2571 2745472.7344 taurohyodeoxycholate Taurohyodeoxycholic acid 3808396.4609 4501515.2946 6376732.0763 3644941.0917 6258798.1379 1574943.7780 3642289.8033 2156366.7394 1383232.4587 972068.5914 7011413.3271 6750673.0667 6551156.4827 6756232.0263 6624732.2599 6733450.7286 6847060.7869 6703263.3861 6936483.0200 5187541.6226 5461678.7353 5134231.4333 5520413.9140 5398033.1696 5285600.7056 5447338.3801 6405578.7244 6638584.9557 6983738.7093 6868450.5936 6384.2564 6880.7317 5842.6725 7863.1348 1046193.6575 1023047.2750 1007219.8777 1030847.5611 2007826.8065 2047238.4864 2026009.6069 224961.7893 14946939.0793 10343752.0699 7167207.6870 14732905.6726 22171841.7335 1953288.2257 3549721.4268 20926735.0795 827761.7941 14039858.6552 1400456.4147 9602303.5651 12013858.0945 12728908.7669 12099514.1913 786381.8428 2877067.2371 4800392.7759 3832749.9182 9613425.3475 8436326.8728 5078026.2313 4544772.9299 4724991.8758 5512740.4963 4678522.7995 2533621.5061 2150649.3085 469178.6033 11476160.0146 4800254.8555 3400439.4106 5179195.1392 3915921.9193 6007492.8807 1751693.1094 6334518.2483 2966962.3871 1705632.8539 1499940.0120 tauroursodeoxycholate Tauroursodeoxycholic acid 3803230.0395 4437302.4724 6374073.4970 3648922.5117 6248559.2806 1670122.3018 3652429.3347 2158667.7056 1374093.7591 2421670.5701 7123803.2878 6679262.9618 6723983.1364 6757281.6828 6783942.4987 6920813.7452 6901847.4587 6772590.6852 6621426.7932 5244979.7737 5516647.8233 5311008.7825 5483154.4721 5456259.1999 5276972.0347 5414401.9495 6616348.1806 6734373.1630 6972493.8585 6873206.7559 6384.2564 6785.0168 5604.6442 8107.8802 1049166.3643 1034840.0396 999324.5819 1030847.5611 2007938.2978 1977661.0937 2028019.5935 1973351.6637 14944162.3279 10339012.7996 7166257.7736 14818176.1194 22148208.6377 1970400.9303 3546887.7036 20922486.8970 830025.9942 13496941.7671 1410196.1976 9648388.2083 12009384.6598 12730284.8215 12099514.1913 786381.8428 2884835.1354 4793071.6789 3832383.4342 9610109.8158 8356034.1912 5073581.5315 4570154.2097 4740673.9539 5481419.5801 4678765.5656 2534744.6373 2144829.2521 21053257.5539 11015341.3671 4804205.6776 3400850.4672 5175997.1218 3914811.3424 6007492.8807 1751072.3411 6334518.2483 2969795.0644 1704706.6308 1492697.1067 threonine Threonine 9207.4208 8534.0537 11652.3565 9277.6792 11853.0016 11837.4676 8427.7885 6189.9167 6181.0218 6308.3263 11205.6669 9887.8155 10860.7155 11705.5521 11701.7135 12816.0052 11268.4790 10858.7857 11651.3786 17317.0774 18289.4364 18097.0758 18221.0667 16025.6591 18215.2309 15940.8107 11663.5100 12464.3102 13394.6191 11400.8524 36252.9493 37049.6918 42016.9792 37361.9166 16085.5656 17864.2196 16119.9456 15772.0380 8606.4177 10965.8870 9425.4680 9097.7715 9905.4794 9382.4976 9424.8302 11514.2164 13295.3602 11660.2908 8269.7307 8386.5384 6511.9022 6716.0393 8208.8290 11788.1150 15609.8646 12481.1776 14994.3520 9139.9133 9390.7350 10723.2947 7896.4039 6916.9458 9523.6448 10340.6055 10516.1797 10487.8352 11545.9670 4591.5089 5242.9474 8139.8479 8284.6352 5966.8518 11261.8187 7406.1663 9082.1167 9673.6416 9379.6731 6751.4332 8644.7060 9130.6408 9128.7052 6526.9974 tryosine Tyrosine 472770.8868 390379.3171 460084.1388 431025.8586 753916.3702 474573.7754 422629.8047 344219.4390 322103.1537 321602.8510 1801 1841 2398 2427 1623 1519 1755 2707 2793 426132.7363 428973.1818 458171.2242 449939.7132 442591.4068 450759.9521 438927.1537 442854.4213 462733.8297 884908.2844 884367.3919 910741.3930 880482.5103 894611.9647 887058.0381 909757.7582 433764.3340 432010.9284 446496.9484 453106.0891 386055.5032 382767.5518 395252.0404 428564.7002 413129.7470 397988.5797 415017.5762 444153.3710 252164.6476 249746.9731 256674.1608 250788.8932 487762.7282 439183.5574 554977.8441 606147.6281 464624.9287 446805.2765 397515.9714 298943.6810 244412.7247 277250.2179 478784.5641 550874.1666 471831.1259 607463.7108 568449.2835 476556.3556 386889.5734 422066.0354 435743.4682 359858.6070 500236.7638 486406.9310 469946.6367 417086.7471 552438.0057 358917.8865 389795.8076 418437.3671 313869.7822 289613.1038 504715.4202 465049.7507 587697.7856 420390.0994 615291.1691 430074.2453 526640.3301 315104.4723 465528.2848 595918.3675 tryptophan Tryptophan 1510795.7269 1393521.9861 1672076.0089 1642162.8472 2121561.1106 1694379.3894 1195512.1091 1176059.2151 943795.6848 865978.8019 1393837.4196 1426806.2680 1443697.1197 1463872.0358 1441231.9557 1469690.5691 1453748.6240 1456298.7366 1450797.1077 1484163.1588 1549456.9355 1589176.5824 1536954.4777 1540969.6507 1591806.2031 1538349.9231 1400368.9168 1444104.9399 1489839.8179 1423064.9461 1144822.1117 1106765.5896 1208609.9217 1177774.4628 1435791.1701 1432860.8455 1493328.3148 1448378.1449 1067276.1891 1067241.0369 1100227.9929 1119809.7065 1755859.3727 1635956.3749 1953471.1659 2018647.4637 1555709.6332 1825600.6490 1124692.5002 1024251.5113 756992.4016 889138.4720 1858440.2010 1870398.5012 1736776.3486 2157012.9461 1991837.8565 1533878.5070 1377756.4710 1318475.3498 1177003.4499 1104019.4982 1736394.8627 1578941.8489 1519541.6038 1518326.3690 1842313.0781 1051513.2870 1170248.1635 1373496.0580 1102196.8220 935841.3373 1653298.9131 1557811.8315 1685145.8638 1508186.4865 1860344.5936 1271558.5169 1736160.1628 943484.1420 1109368.3093 1754617.2707 urate Uric acid 1942040.9727 1767694.0156 3527780.0608 4425335.7369 3138742.3531 6424197.4893 2123133.5761 2431812.2000 517365.0055 690451.0928 2632440.3611 2636154.0932 2651899.7683 2744454.4850 2609639.1917 2670944.5637 2799482.9611 2770294.8568 2847404.8998 5092438.0437 5504742.9676 5706707.2878 4933873.8507 3859592.0976 3631696.0477 4786919.1587 2832252.0870 2822614.5114 2901000.7345 2747302.2134 397756.1990 469467.4035 421893.1533 444990.9135 2934126.8296 2222068.4369 2092818.2199 2234182.4744 3344781.0687 3603761.4984 3185037.5918 3307079.2517 6927754.5670 3695169.4133 1183882.1818 2111643.4135 3271745.0138 4389159.5294 1783908.6764 1288247.3102 908539.7302 1025869.5644 4971366.1141 3660836.4645 2770954.5901 3891665.1817 1816089.4746 3633802.2883 3710005.9042 2628869.2855 1872895.7976 1842489.1223 3252203.9782 3615370.3238 2642916.6711 3292478.9019 5656494.1485 2562262.2751 1536814.3194 4271440.0541 1980268.7718 914427.1629 4841515.0947 2480574.2446 3138120.3640 3171513.6535 3300785.8763 2588918.0687 4630216.3686 1970584.9365 1304317.2617 5422595.3218 uridine Uridine 252135.9484 272463.6903 1102550.6767 473499.8858 617462.0428 1294075.6787 524088.4951 300785.7620 134996.1754 91360.6849 385670.7996 365733.4042 314539.5338 365871.3618 360692.7682 355668.0741 363322.9773 376271.5129 362900.6802 5297925.9724 5224075.8954 5085189.9449 5271713.6045 5043901.0653 5107411.6377 4923268.1542 363501.8963 382027.5893 368179.2679 369020.0769 24801.8321 26182.5386 25503.5771 25274.8923 410012.6500 394720.0629 373902.8359 378107.1876 409279.6052 405894.3359 357450.8888 368816.5960 561501.5963 332938.1582 427270.5981 539878.9743 300280.2506 431589.2457 206383.3079 150676.0190 160861.2996 84930.2999 702441.7788 531793.9586 392104.3056 409169.9182 398438.4209 409370.9602 402936.2128 183551.7986 127891.4914 269081.5576 378350.9264 331406.5004 294316.7791 236266.5387 528151.5658 158701.9819 136225.8361 283402 115085.4967 71766.4127 515922.5524 161374.1691 382416.7985 293379.9630 342641.2190 312975.8725 601565.9056 258464.2821 229394.7999 650549.4454 ursodeoxycholate Ursodeoxycholic acid 249816.7685 72713.0855 143636.1004 125316.1140 13392.9638 25889.9441 14757.0602 49005.0933 16103.6444 9072.3625 266524.2764 317812.9204 293468.9456 258831.7296 230967.1996 293126.8013 272341.4914 322888.9688 337129.9646 109032.0746 69357.1091 57892.9538 46430.0305 85656.8975 60393.6946 75251.0977 315263.7188 263204.6498 298772.0226 316046.3376 91253.8921 91098.5086 88801.5047 97477.4677 16638.1532 16282.5500 18118.1206 16558.4588 28274.5116 31624.9490 24890.6985 36634.5792 130252.9958 196216.8931 145648.4894 1002225.9622 380552.7234 68908.7189 48845.3754 165932.6822 30147.5335 90564.8595 261984.3961 353808.1996 544137.7692 242790.7818 194060.3995 175663.9707 65730.2871 152267.0795 36847.5015 127448.3662 23798.2439 60526.9335 124215.1630 103219.1308 26405.4018 66567.6070 42788.4394 59948.4566 99351.0909 100402.4848 126765.0513 152518.2673 48744.8331 47495.7739 141150.0772 21042.3340 79627.0837 40502.9654 35935.4846 209392.7048 xanthosine Xanthosine 342671.6968 556543.4660 1117432.8320 2267955.8102 324384.1498 6144114.8069 503457.6180 505923.7753 70083.7864 6428380.4970 1282221.5372 1294570.2022 1299165.9367 1337931.3602 1314066.3579 1360653.1958 1320084.1251 1281297.1490 1304161.1058 761813.2097 799974.0375 723101.2084 726730.4067 757393.5374 718105.8314 801631.4186 1305534.2689 1336604.0270 1301848.0028 1278700.1084 12228.3520 7196.7066 13825.7174 15672.5040 424708.9607 428105.0304 415456.6360 414909.4324 1404834.4728 1401944.6120 1466444.5572 1544150.1126 2563539.9578 2088671.7085 180308.8487 1145291.1434 1309082.7141 1344867.0298 384979.9569 487591.4868 414790.7722 145896.3961 3366863.6408 1682235.4438 766914.2573 1446391.8920 256167.6700 2348628.2594 1379401.6127 872278.8971 446471.9016 564001.8938 1283430.5333 1679168.6550 1995730.1757 1423182.8164 3464532.7869 667452.9035 482966.3912 1957004.1203 395032.1962 107234.0562 2396895.1442 588139.1767 2548681.8202 1752068.9553 2598529.7273 1088197.4194 1585076.4740 314188.4554 393347.3026 4959241.3990