Metabolite_name RefMet_name 90248016906 90252016906 90265016906 90266016906 90217016906 90229016906 90232016906 90237016906 90239016906 CS00000PB-01 CS00000PB-02 CS00000PB-03 CS00000PB-04 CS00000SB-02 CS00000SB-03 CS00000SB-04 CS00000SB-05 CS00000MP-01 CS00000MP-02 CS00000MP-03 CS00000MP-04 CS00000MP-05 CS00000MP-06 CS00000MP-07 CS00000MP-08 CS00000MP-09 CS0000OP0-01 CS0000OP0-02 CS0000OP0-03 CS0000OP0-04 CS0000OP0-05 CS0000OP0-06 CS0000OP0-07 CS000QCMP-01 CS000QCMP-02 CS000QCMP-03 CS000QCMP-04 CS0UMRA01-01 CS0UMRA01-02 CS0UMRA01-03 CS0UMRA01-04 CSMR80012-01 CSMR80012-02 CSMR80012-03 CSMR80012-04 CSMR80013-01 CSMR80013-02 CSMR80013-03 CSMR80013-04 90559016906 90560016906 90564016906 90567016906 90571016906 90421016906 90422016906 90423016906 90426016906 90430016906 90576016906 90578016906 90581016906 90585016906 90587016906 90439016906 90441016906 90444016906 90449016906 90450016906 90406016906 90410016906 90412016906 90416016906 90420016906 90280016906 90281016906 90283016906 90289016906 90292016906 90251016906 90254016906 90258016906 90267016906 90222016906 90225016906 90227016906 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:Male Group:Control | Timepoint:8 weeks of training or control time | Sex:Male Group:Control | Timepoint:8 weeks of training or control time | Sex:Male Group:Control | Timepoint:8 weeks of training or control time | Sex:Male Group:Control | Timepoint:8 weeks of training or control time | Sex:Male Group:QC-Blank | Timepoint:0 hour | Sex:- Group:QC-Blank | Timepoint:0 hour | Sex:- Group:QC-Blank | Timepoint:0 hour | Sex:- Group:QC-Blank | Timepoint:0 hour | Sex:- Group:QC-Blank | Timepoint:0 hour | Sex:- Group:QC-Blank | Timepoint:0 hour | Sex:- Group:QC-Blank | Timepoint:0 hour | Sex:- Group:QC-Blank | Timepoint:0 hour | Sex:- Group:QC-DriftCorrection | Timepoint:0 hour | Sex:- Group:QC-DriftCorrection | Timepoint:0 hour | Sex:- Group:QC-DriftCorrection | Timepoint:0 hour | Sex:- Group:QC-DriftCorrection | Timepoint:0 hour | Sex:- Group:QC-DriftCorrection | Timepoint:0 hour | Sex:- Group:QC-DriftCorrection | Timepoint:0 hour | Sex:- Group:QC-DriftCorrection | Timepoint:0 hour | Sex:- Group:QC-DriftCorrection | Timepoint:0 hour | Sex:- Group:QC-DriftCorrection | Timepoint:0 hour | Sex:- Group:QC-Pooled | Timepoint:0 hour | Sex:- Group:QC-Pooled | Timepoint:0 hour | Sex:- Group:QC-Pooled | Timepoint:0 hour | Sex:- Group:QC-Pooled | Timepoint:0 hour | Sex:- Group:QC-Pooled | Timepoint:0 hour | Sex:- Group:QC-Pooled | Timepoint:0 hour | Sex:- Group:QC-Pooled | Timepoint:0 hour | Sex:- Group:QC-Pooled | Timepoint:0 hour | Sex:- Group:QC-Pooled | Timepoint:0 hour | Sex:- Group:QC-Pooled | Timepoint:0 hour | Sex:- Group:QC-Pooled | Timepoint:0 hour | Sex:- Group:QC-ReCAS | Timepoint:0 hour | Sex:- Group:QC-ReCAS | Timepoint:0 hour | Sex:- Group:QC-ReCAS | Timepoint:0 hour | Sex:- Group:QC-ReCAS | Timepoint:0 hour | Sex:- Group:QC-Reference | Timepoint:0 hour | Sex:- Group:QC-Reference | Timepoint:0 hour | Sex:- Group:QC-Reference | Timepoint:0 hour | Sex:- Group:QC-Reference | Timepoint:0 hour | Sex:- Group:QC-Reference | Timepoint:0 hour | Sex:- Group:QC-Reference | Timepoint:0 hour | Sex:- Group:QC-Reference | Timepoint:0 hour | Sex:- Group:QC-Reference | Timepoint:0 hour | Sex:- Group:Training | Timepoint:1 week of training or control time | Sex:Female Group:Training | Timepoint:1 week of training or control time | Sex:Female Group:Training | Timepoint:1 week of training or control time | Sex:Female Group:Training | Timepoint:1 week of training or control time | Sex:Female Group:Training | Timepoint:1 week of training or control time | Sex:Female Group:Training | Timepoint:1 week of training or control time | Sex:Male Group:Training | Timepoint:1 week of training or control time | Sex:Male Group:Training | Timepoint:1 week of training or control time | Sex:Male Group:Training | Timepoint:1 week of training or control time | Sex:Male Group:Training | Timepoint:1 week of training or control time | Sex:Male Group:Training | Timepoint:2 weeks of training | Sex:Female Group:Training | Timepoint:2 weeks of training | Sex:Female Group:Training | Timepoint:2 weeks of training | Sex:Female Group:Training | Timepoint:2 weeks of training | Sex:Female Group:Training | Timepoint:2 weeks of training | Sex:Female Group:Training | Timepoint:2 weeks of training | Sex:Male Group:Training | Timepoint:2 weeks of training | Sex:Male Group:Training | Timepoint:2 weeks of training | Sex:Male Group:Training | Timepoint:2 weeks of training | Sex:Male Group:Training | Timepoint:2 weeks of training | Sex:Male Group:Training | Timepoint:4 weeks of training | Sex:Female Group:Training | Timepoint:4 weeks of training | Sex:Female Group:Training | Timepoint:4 weeks of training | Sex:Female Group:Training | Timepoint:4 weeks of training | Sex:Female Group:Training | Timepoint:4 weeks of training | Sex: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: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-piperidinone 2-Piperidinone 15754.6337 14623.4815 17764.6008 9172.2235 9672.9766 9081.6294 10981.9823 9770.9315 11223.8480 8387.3680 8301.2442 12227.5967 7800.0960 9554.9019 10216.4583 10148.8386 11850.4446 9761.0744 19289.4062 20889.7271 29270.2082 26827.5726 20330.6255 20067.4165 21319.0633 10270.5330 12289.7886 8823.2877 12481.7046 5503.7483 4035.3443 5619.9652 4850.8971 7231.4462 8248.7457 4131.8659 4795.0627 8282.0849 11616.5493 6163.2711 8306.3648 9908.9983 11093.1759 12186.4958 9458.9290 8430.9656 11122.6431 16405.1689 15987.1956 8529.3215 8953.0393 12488.7168 10260.5140 14467.6325 12355.4037 14150.5763 13450.2506 9163.8190 6809.9827 5277.1234 9104.9691 10348.4713 10197.4908 9908.0317 9278.0025 11721.9139 8685.4551 9548.7889 10650.1984 9899.6638 8493.1363 11270.9445 18955.3459 9766.4077 6299.5822 8705.7406 6274.0486 6311.6903 3-hydroxyphenyl-valerate 3-Hydroxyphenyl valeric acid 10176.3865 11886.1043 10019.4213 10451.0017 7417.6114 9516.5660 9971.9017 9706.5364 13408.4778 9519.1800 9772.7211 9912.9930 7126.9891 9678.7817 11087.6080 15294.5920 6998.4651 13963.3814 2955.2809 3312.9199 4259.3781 3263.2736 4906.3256 8015.0521 4142.7613 8872.2324 10417.6328 12397.5633 16012.8549 10681.9881 9775.3736 8059.2555 3732.2631 4206.3586 7512.1303 7338.7819 11814.3083 5579.2025 10952.6418 6289.9158 8500.2262 12282.7935 8600.1033 19867.3595 15508.7565 12540.8616 12133.5477 14131.7490 11429.1523 10942.8015 12613.6835 15190.8690 12763.4577 13521.2991 15572.5768 30493.8551 9908.5236 11085.4561 13412.9128 13388.6818 12184.2024 15436.1249 10233.3071 13272.8577 19919.5829 13321.3087 9502.7197 9796.4263 15167.4819 7110.3248 23414.5285 11488.9086 11928.3314 8764.0822 9208.9086 12433.3207 8910.4592 12084.4483 3-indolepropionate 3-Indolepropionic acid 20159.4948 26673.6029 39746.2608 65629.3588 19215.9567 29823.8942 19011.6210 24151.4863 23636.5766 28303.5733 39076.7252 33122.8099 32834.0621 31820.2617 29020.3279 26613.9300 29391.2858 31966.2995 37771.1209 37088.0995 38309.4278 29303.5257 31330.9122 29790.4115 46781.0838 38726.1226 32731.7683 31691.7434 29545.8226 31536.8440 32312.8253 24240.7070 25763.4843 25012.1931 26295.6115 19333.3443 18016.0750 32212.1944 32483.9620 23673.5712 25725.0622 38572.6868 25431.1407 36815.6366 41618.8589 26711.4980 29705.4870 35466.2836 39816.4917 28040.3931 29881.3900 37461.3120 34500.6651 45444.0808 39469.2468 33390.0474 32756.3552 39370.3258 18691.7346 56103.4162 34561.5773 35878.0110 26271.9879 34595.2943 28356.8785 38494.3336 39874.8095 34210.0961 22102.4036 25519.3749 30150.2828 24044.8701 31283.9463 23527.6370 10061.6604 52079.6291 41777.4530 47002.1455 5^-methylthioadenosine 5'-Methylthioadenosine 518431.8863 452127.5698 501918.5467 513547.3040 157363.0876 235607.2126 245725.9466 291086.5664 310284.5598 267236.3144 268162.3251 260189.6904 254692.5982 252685.3218 245831.7613 253676.2634 254425.6767 274883.4388 2398750.7502 2205976.6782 2098479.2232 2107038.7945 1920286.2250 1768543.1493 1769466.9346 267655.0893 255444.9514 250550.6770 245075.2468 43354.4573 40116.1241 43437.4390 43932.0331 58981.2528 47578.3528 43195.5732 39401.2120 54073.8342 51142.6011 53699.3945 54465.9542 282998.9899 268598.9038 257779.7598 280175.9650 279429.8554 231546.3948 230312.5398 284018.4375 170499.1588 205052.1866 266836.6344 264668.1352 275545.3501 280695.8039 229416.0446 233973.3083 250280.1616 160566.2839 250922.2811 235084.8801 398607.5409 327193.8115 273071.3897 359563.4809 319910.8237 278257.7521 278331.2886 286152.8481 215519.3777 194117.1805 362040.0796 478263.4973 362732.8644 150391.7918 357312.4857 224232.2420 166597.2788 alpha-tocopherol alpha-Tocopherol 154562.1233 135707.6209 91867.9967 210904.8027 38688.7661 48635.9040 36317.1070 43243.2195 50234.0497 507.9582 64713.1301 49318.5252 54811.3500 55073.3149 59464.2045 57800.6784 59283.3202 57976.3886 11798.7724 1952.2110 6761.2952 5462.3487 7426.7791 6840.4217 6932.4540 65444.9337 54970.0635 66881.5559 60839.7484 16256.7255 14763.2469 11906.7441 13494.8430 130138.1497 127452.7236 85279.7229 100045.5110 173984.8646 163278.0449 144915.9792 147731.9049 90948.9113 82913.1944 101511.0529 72014.5569 75264.3048 46033.9380 41658.3011 33016.3187 39801.5133 19004.0707 96190.5804 81031.7261 95037.8980 106114.1602 98647.5296 46018.1492 21831.5039 50992.9400 50056.3118 37200.6602 150255.6049 114760.8094 90465.7044 134325.5499 127364.7014 56768.2729 50038.2087 34507.0247 44025.0929 50302.0050 93058.0560 136470.6180 149134.2889 215624.1906 98833.3527 70488.2861 63820.0327 Asp-Leu Asp-Leu 13757.6650 8622.8872 12992.3725 35238.6857 11608.4237 7952.7571 7406.6769 9047.2583 13859.4853 10223.9617 10707.3219 11189.6656 11082.2870 10947.4286 10034.3048 8984.9447 10394.4060 10817.2125 9688.1383 9711.4878 13804.3565 9277.9599 11846.1652 10582.5955 14034.1267 8835.4844 8208.3844 10981.7383 10462.2458 3973.4921 4705.7785 3474.7094 4160.6018 7094.8563 7229.6554 5411.0502 5108.4377 6987.9320 7292.1972 5674.2433 5761.8818 11872.5003 13787.0573 12503.3610 10571.6155 9759.5331 8237.4425 11009.3559 8344.1702 6265.5819 8801.2959 10837.7067 10653.0622 14347.4111 8898.1660 12666.5639 8331.5551 9471.5739 6838.1666 11316.5442 5951.0001 13390.1402 17886.2141 9847.7163 13720.4942 14029.7542 5841.7327 7912.6709 8926.0799 9792.6158 7757.6018 15275.9873 9471.1421 11430.4034 4630.2423 11427.3917 8457.5197 6855.1836 benzylbutylphthalate Benzyl butyl phthalate 1164341.9320 1107277.9249 935326.8710 831703.1869 1259712.5023 1042093.9096 923048.8644 1178463.4975 983508.8640 1287912.2640 1131223.2190 404625.2699 553672.2184 840487.8746 1057845.5960 485025.0394 529568.5283 1037474.6637 982214.6754 954922.2078 959378.4354 984677.4892 998555.3895 997504.1891 1013583.7087 1044322.3638 722453.3962 716043.8481 689389.8961 723653.6038 686855.5165 683346.6156 774835.6315 971734.0961 961176.0571 983817.8958 1060437.0812 1532310.5395 1594942.0108 2009148.8770 2046301.5924 526565.1842 730195.4695 975165.8078 1009227.4987 849889.2287 958376.0331 1197005.6509 1218831.0472 906532.8338 1654764.1608 1079556.5994 1514502.1652 1139272.6306 1042528.4775 922476.6468 1077868.2358 1402283.1375 1531958.2775 964508.1870 920982.7563 924028.2193 1024222.6339 1004622.5634 1269577.7951 861669.9692 1506977.3338 887209.2743 988710.1427 992894.1802 1354679.8228 971488.4244 1064615.7826 939070.4399 973006.8050 870671.9479 986616.6407 996129.3903 868896.7507 1032419.9792 1028905.2334 1540553.0983 1227759.2592 1150296.5805 1090436.2844 1322015.4594 bis(2-ethylhexyl)phthalate Bis(2-ethylhexyl)phthalate 146060.2124 350006.3455 202919.1888 287005.6092 243601.0456 298554.4989 196713.8145 141968.9972 164593.5651 155184.4311 94708.3273 446111.8395 77553.0006 292467.7786 422791.1499 301008.3208 263110.9743 277706.1466 232592.1347 217256.2747 256604.8225 326037.1346 280597.1653 108671.7701 122959.7606 129527.1477 87678.3283 81651.2368 104509.2597 449377.6432 259072.8595 244810.5644 264499.3636 282398.9846 318269.5018 223451.2105 234172.0645 2004374.4701 501656.8158 233948.2045 208722.2136 365393.2569 433977.6310 196755.9544 222823.3538 137415.8285 285226.5135 176227.2658 412538.2429 135647.9071 478044.3219 216849.6827 130212.5440 227943.5735 224776.6760 177579.7494 112389.9309 99880.9901 171981.5246 184228.8333 147882.9793 94706.6424 148906.3633 155481.3803 108202.9702 272156.2409 358303.9956 210601.2951 228717.4461 275979.4909 298570.3017 176612.7347 234691.6114 194566.7137 98789.4663 241939.1075 185313.8449 275415.3892 187493.1769 331660.4996 204464.3939 269014.5676 Car(10:0) CAR 10:0 621380.4861 841504.3327 1247093.0607 1327959.6341 449145.0451 1005621.5576 807816.7455 365219.3669 515055.8949 998592.5430 979374.3636 973440.7044 973290.5174 959162.3997 953914.6517 944079.5381 939859.5260 952494.6844 1197522.8413 1155045.3715 1126194.4917 1129298.3334 1120205.5967 1090979.1838 1075589.5683 997285.2398 964142.6629 975617.1722 916883.6081 419900.7762 413455.1029 375519.1427 373326.8558 492426.9236 397909.8439 305765.5124 299684.7182 340615.6010 318780.5662 296648.2465 289222.0716 1124058.7713 1021915.6826 1122161.3063 807063.0530 1338414.6361 617599.9470 766361.0547 1878005.4942 556052.8921 1087785.6957 673191.5980 870196.9513 1100775.2886 849192.1177 815077.1034 675870.7427 1346229.4719 506866.0774 875597.9859 1143098.6827 716304.8734 699481.6161 517695.3301 1466267.0176 1362708.0946 760476.4644 602457.7954 2802522.9437 479592.2082 630726.2192 1593486.4881 1190533.6272 622028.3846 315652.6611 765560.9037 540446.0868 301788.0996 Car(10:0-OH) CAR 10:0;OH 61920.8945 58005.1632 60935.3983 59644.2586 39238.9855 145026.0002 106126.6289 49360.9143 78650.5451 79521.5099 71049.2301 77509.1361 77846.9207 76528.5023 75869.8169 73777.1300 73904.0047 82840.7779 134134.6770 139861.8003 139362.3114 139156.8684 135123.3598 130254.8265 130528.4912 76320.8486 77598.0221 77803.9080 75151.6970 11090.9181 10362.4936 9667.4883 9705.1161 16196.7611 16265.1876 13880.8695 14591.7619 11506.2532 10808.1027 9210.3378 10333.0757 52550.6657 76663.4836 124368.9065 70593.6183 82439.7092 81680.3239 104287.7585 121511.9064 66568.1761 92730.3491 46304.7281 65465.6734 69257.1515 55222.3445 64831.7467 53934.3928 89755.8372 53199.7400 83928.0251 92927.4317 55095.9755 60381.6639 43498.1149 90267.4240 68012.8211 82914.2664 88159.4513 134461.5764 75494.3955 109637.7770 120414.2667 98888.0571 51192.0931 26380.9998 91335.2102 37953.7354 27163.4540 Car(10:1) CAR 10:1 116887.4710 123643.0652 451157.4950 204185.4073 179816.7768 481017.7079 330620.0454 91734.8436 169262.1385 385335.3040 371543.0474 369528.1081 368872.4057 366904.2669 365017.4915 366243.6523 355900.8399 369811.1436 372183.1591 358564.2020 349393.1892 345023.5929 342973.3313 343477.1526 327191.3941 378816.8073 371738.1985 358566.9832 356990.8454 94886.6816 90135.8181 86876.8475 85240.1751 225056.2279 171483.1972 138084.6727 135771.6867 76490.2566 67809.2811 68159.9495 67098.7348 411855.2245 348969.3893 302724.7906 334739.0764 487914.6446 271617.3382 386024.9629 1048897.4851 273386.5114 373661.9586 162130.0223 334875.1195 393953.2881 274556.7669 302546.1459 289399.5321 759717.9838 199148.4466 458616.1189 348830.7006 177249.5023 154075.3627 200335.5165 399391.6442 335214.5945 299983.2586 344262.5932 1419643.5973 213096.5063 325160.1179 425452.6219 367628.0420 160456.5085 107909.1368 294025.1346 173409.1715 121003.2503 Car(11:0) CAR 11:0 13928.7574 12045.8421 18742.3312 25671.7754 6235.8613 11878.2475 11512.7239 10920.3020 8156.9026 13307.8638 17763.5080 13977.6366 13670.3311 14445.5199 14579.9555 16047.9136 15448.2134 15295.4800 14019.7365 23588.3194 21935.0230 11625.6671 16580.3427 20531.9223 15720.7862 11355.5058 15940.5652 15809.2893 15079.9889 7512.3089 10710.9801 9067.3101 10247.5345 2696.1158 2489.1818 10319.0139 6243.4700 5972.1613 7466.2843 2892.0113 8192.0237 17141.5969 14576.1443 15728.7928 13852.1096 14896.2242 10031.8017 9682.6658 29528.7612 8362.9899 14344.4832 9199.7888 10408.5013 12739.1961 9710.2043 15521.1759 7831.2094 21447.4313 5379.9508 12266.9350 16375.9992 11397.3110 10757.1268 6691.8775 18879.5744 16320.6984 9396.6840 11278.7927 39512.4002 6010.7447 7837.2735 21235.6155 15284.5023 9778.4484 5267.6946 13509.9373 16217.2902 9075.5561 Car(12:0) CAR 12:0 1986723.3811 2341263.8873 3647701.3635 3979778.3537 1243788.3396 2484400.2938 2429126.4347 1060403.7232 1540637.8861 2305518.2079 2383968.9670 2355327.4805 2376087.1740 2352937.9168 2333430.4282 2337607.4427 2329849.4264 2346940.6866 2926508.4445 2876568.7036 2830717.1406 2879198.6476 2802172.0801 2743287.7135 2749699.4425 2427057.3433 2358658.8901 2368871.4351 2345536.1963 723754.6803 747096.5611 706565.1366 709547.9654 615197.1397 575383.0860 551718.6005 553820.8972 342721.0174 328242.6456 330357.1420 324905.7410 3189063.7075 2498183.7601 3027276.7435 2304710.3924 3148762.5085 1725576.2448 1875786.2045 3998733.2965 1377101.6040 2287866.7130 2041154.7761 2046323.3584 2711602.0193 2328519.6152 2237538.5682 1796712.8093 2726527.4622 1278783.2809 2065279.3746 2745663.3942 2129884.1441 1924254.4322 1711565.4522 3451558.6026 3439038.9342 2084988.6734 1777377.2197 5770858.1047 1414617.8173 1672035.1175 3624309.2810 3243292.5764 1836050.8029 929529.8475 2420464.0619 1649159.5735 1055927.9332 Car(12:1) CAR 12:1 173798.9855 210141.9963 415265.0024 365225.9388 115933.7122 336123.0961 277838.8219 113644.5723 146169.9825 327475.0252 337498.2247 329483.6912 335114.3705 327023.7174 322678.9547 328350.7375 321286.1822 336791.9580 341019.4792 334628.2216 324997.8485 330754.7450 314809.0117 316653.3684 323021.8290 338756.0721 328805.0759 341586.6211 325024.4809 84359.2918 83301.9496 82816.9526 77647.8835 32545.5281 58275.9480 65441.2385 65318.6742 34541.6439 35173.1086 35583.6059 33778.1780 442451.0952 350476.7632 450981.7854 263013.8071 479010.1566 174173.8806 231271.3672 781295.0291 174533.0785 493827.3338 216339.4546 273689.5774 342556.9091 203207.1207 214464.0421 159902.0960 525847.4434 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741842.1499 1764345.2707 1351914.5564 1461336.9613 1559146.2306 1059118.1805 1308440.2560 951915.4214 525637.1923 823027.5722 841511.6385 918552.1246 1931358.3161 891362.8500 530655.7336 1101275.1214 599306.4319 358509.2242 Car(4:0) CAR 4:0 4582555.3083 5707958.7770 6154964.5027 8198175.1828 4077924.0590 4477500.1608 4163497.0602 5758160.2753 3649264.3012 4527171.2756 4201518.2653 4233451.8026 4181969.9651 4153786.5136 4181386.6143 4049363.8351 4023743.9727 3990276.2945 5363118.9349 5498175.4509 5597305.6687 5515824.8721 5411596.3361 5182793.4230 5272118.9923 4063689.3123 4147339.2983 4186480.9313 4158956.3410 1671771.6053 1707091.6307 1653119.8920 1653244.8912 1315050.9615 1315786.4369 1327147.5987 1304836.4907 2220552.0273 2243476.7559 2169713.6427 2169684.9030 4394512.5487 3887128.2383 5455411.5468 4497519.6301 4822928.5749 4233176.9558 5252122.2925 3564505.1142 2506337.3368 2344024.0744 4397734.8862 4205453.5011 4825258.4839 5419079.8755 5217687.6462 3921846.3033 4238570.4779 2574378.9106 4145877.0984 3171843.7391 4561376.5404 5068386.3994 4986654.6062 4372654.9187 5848258.7749 4200538.0562 3672048.8227 3617854.0015 3434626.2688 4083822.7747 5877261.8345 5708510.8752 5006408.7508 1847781.4464 5272409.1804 3038680.7364 2961127.1060 Car(4:0_3-CH3) CAR 4:0;3Me 1103404.1877 831712.8560 705617.7314 6897813.3258 573653.0516 616062.6409 709049.1386 594629.2404 750714.5950 1037072.3882 927701.8862 1059867.6458 992388.5271 1013688.8532 967481.8789 997380.6802 989227.5496 1039830.3741 722520.6963 747113.8353 760255.4125 671263.3867 741130.2130 723893.7112 722917.4412 976364.0337 936850.5684 1016807.2713 992636.8361 138162.9898 140588.1694 133535.5905 147503.3977 256540.8794 254958.9364 263989.2429 259442.5608 272372.5629 266454.7477 270024.9239 279049.2974 882195.1363 694339.1294 1956741.0784 1407186.6076 1310054.0229 867402.7864 926832.8775 632462.1598 599513.2401 456117.4726 1000861.3514 931989.5509 1683255.8533 1388355.0500 1804197.6230 1206239.8265 525205.3376 514468.0154 1149859.9610 614177.1844 1456616.2573 995565.4620 1116927.1551 1444050.6134 751944.0003 1055236.5965 607642.5327 577674.3037 775978.3734 571248.0458 1103691.5700 1422665.9500 988678.1572 351706.8992 883080.8259 426852.8139 536866.2272 Car(5:0) CAR 5:0 1800856.3902 713944.4016 1035141.8149 3001098.8300 567637.1971 688651.8421 956501.1702 595124.3914 1064770.3730 1339632.6072 1294307.8056 1360347.2531 1317867.5062 1331991.3458 1373830.5177 1302630.0777 1291115.2519 1308430.8402 1355270.0774 1352136.0052 1385665.7532 1376896.5855 1319569.0081 1314527.3584 1278048.6506 1279761.6818 1341779.3027 1394746.3734 1429572.2424 247752.5857 243086.3549 261868.3201 256293.6886 325041.2677 310293.8540 343981.7606 330035.3937 346874.7076 345880.8074 373684.9534 380700.2420 1270523.2727 840531.2819 2663633.7160 1989270.2952 1988936.5235 1387726.9597 1408657.3412 743564.2262 929531.9013 606278.8065 1544748.2609 1448473.3520 2774504.5124 2068421.6799 3100954.9447 2184073.4783 501927.2335 810484.8137 1693388.5343 895902.2599 2219581.7462 1850949.3553 1372030.0830 2394479.2815 970604.6356 1008322.6342 926155.8463 517095.6206 889309.1511 1160345.7753 1060561.0198 2575084.6668 1065838.1729 480393.1982 1275407.5275 443055.8244 460818.5003 Car(5:0) isomers CAR 5:0 1910082.9553 748959.9838 1088291.0608 2596199.0165 584065.4572 731353.6581 1060489.8704 691743.4371 1125804.4793 1339632.6072 1304336.6811 1317703.8614 1312414.8497 1322118.7844 1373830.5177 1302630.0777 1291115.2519 1308430.8402 1301863.3254 1352136.0052 1420778.7900 1322945.5718 1341164.1874 1271364.6137 1278039.5723 1230686.7610 1299277.7678 1394746.3734 1429572.2424 247815.9485 242158.5986 261868.3201 256329.0428 325039.4687 311389.6040 343981.7606 330035.3937 346874.7076 343571.2495 373440.0309 375651.1410 1290661.4125 879000.5829 2743323.3173 2050375.1064 2010038.1492 1440911.6753 1478607.2179 791214.7040 983573.2168 616190.8162 1574744.5173 1477380.1629 2875666.7958 2163312.6538 3236377.8682 2270557.2346 533190.7030 845110.6658 1745522.2053 934553.2643 2311748.4030 1919697.0085 1438326.5344 2466550.2517 1009096.9155 1020835.0306 981744.7341 534063.5051 987515.4276 1200750.1408 1146070.3520 2637142.8840 1146103.2241 530511.3489 1297276.9754 477804.2592 524115.7830 Car(5:0-OH) CAR 5:0;OH 460714.1301 424780.7399 663742.7176 805957.5174 222013.2607 282639.1366 238359.4984 297902.4757 283910.2600 456962.3440 475277.7234 475229.6201 470356.3327 459606.6197 466487.8066 445877.9344 450568.3524 448645.4507 546651.0322 537936.6929 524027.6949 542361.4633 505014.9783 481973.6066 477104.0295 487047.0540 466114.8904 456908.4944 439247.2754 136276.4409 129001.4701 116013.8209 117018.2373 145169.2278 109048.0848 83896.0178 80762.4159 127698.9452 122584.8537 107441.3011 107740.3978 594921.4419 560369.8371 654952.2245 692306.4994 670524.9302 301680.2654 361907.1283 598682.7795 245065.3615 442397.4338 504093.7518 681434.5153 701522.0063 674894.3105 585595.5603 391796.8459 565722.3500 265104.3641 463620.8808 451567.4560 826936.3311 613884.9710 594118.5669 766668.6557 662478.3128 340379.2124 401001.0955 524212.6783 255432.6233 239840.3781 711947.8279 794415.3233 469585.2522 180262.5425 573586.8172 302627.9337 222672.1331 Car(5:1) CAR 5:1 24357.8690 18597.7336 18099.5683 94599.5049 6277.9978 14827.4590 9932.0557 39452.2806 15792.9550 15796.0170 15320.4116 16200.2633 16379.8610 17009.7400 17060.2084 17548.6547 17058.7764 17521.0755 39411.5216 36402.6204 35136.4795 36753.9032 39417.0841 40479.3438 54660.3289 15385.1595 13180.3698 15956.4940 17296.2357 3378.2229 3763.3989 4320.1637 3817.5813 3100.1603 3084.8437 3368.2107 3467.0413 3735.9249 3810.3960 3078.2379 4260.5130 10911.7734 11465.8571 25179.2631 25803.6834 20440.3857 9556.3199 12341.6084 20784.6380 14111.8643 15266.0605 11785.4682 22332.8912 22066.5515 21256.8628 23829.0437 11630.2817 27687.2487 6081.7057 17939.5279 15844.5529 23082.3802 23217.9110 23089.9220 30235.6115 21383.5112 12545.6455 12050.1664 17735.3854 17447.5923 13524.7013 37943.1951 30277.7672 15449.7551 3954.7030 13826.0460 6622.7446 5851.1976 Car(6:0) CAR 6:0 753949.8958 1271948.5258 1612277.3424 2526908.6651 665343.5820 1197950.0085 896704.0129 1246329.4887 697227.6415 1226219.0035 1245102.4922 1259138.7293 1251855.8679 1227662.5714 1204146.4402 1191335.4030 1194377.4466 1239155.2207 1156262.5749 1152523.3672 1151108.4131 1200763.6583 1113382.0980 1099778.2691 1076555.7349 1230519.6265 1249279.8561 1204218.6374 1192407.4394 451526.2841 455010.4481 473047.1111 484910.5363 790232.0942 777464.5765 768467.4333 764030.2735 1370915.8987 1383867.3579 1402790.4589 1397498.4618 1172931.2820 1145736.4910 1350157.2235 1191780.2377 1466417.8563 812997.6280 1075988.7341 1956271.0066 808836.9788 1312638.1164 888547.8174 1111397.1592 1314891.1632 1184500.6135 1126641.0199 790088.5967 1901595.3334 661597.8596 1006451.8898 1093343.1063 1024073.9123 860670.1013 1027912.3380 1212773.3045 1658210.5611 877741.3219 722619.4680 2475304.7050 649672.8039 681228.0694 2195559.8883 1396023.3577 1078932.7861 387034.4861 923805.9979 595368.7987 572211.1692 Car(8:0) CAR 8:0 432683.9724 592220.5960 832421.6520 1269530.1242 299743.6733 651738.0858 478502.4160 361570.3408 375537.5958 724956.6738 745626.1941 748429.4007 756428.8097 759252.6781 752128.6318 768799.5554 762096.1112 767052.0997 601900.5179 600023.9458 599555.7940 611220.4891 603563.4198 608385.1248 608751.4539 741702.2502 737434.7896 747916.1697 765564.8164 311436.4718 321051.6743 323177.1613 327218.6742 399466.8488 395300.7020 408980.9302 402814.6180 677141.3550 686778.4756 707076.2561 709328.5703 778955.3579 769754.1791 748245.1309 611124.6177 961771.8317 441923.3492 521891.7197 1490063.1501 513477.2635 972835.3366 533146.2355 674496.7054 775180.9756 551489.6911 566501.0863 457094.4722 1251237.7719 385418.8337 631256.1591 879063.1518 571187.1370 506249.7544 411751.7638 989056.3257 906507.6913 435250.4024 413553.0273 2207485.7308 307381.2938 441952.7402 1342743.7823 844519.3146 560941.2081 204281.1260 453025.2515 324102.3361 297801.3018 Car(8:0-OH) CAR 8:0;OH 17929.0141 15484.8810 22709.9281 66315.1632 8724.6860 32947.9230 17422.1562 24134.2861 19135.4699 29831.4794 30531.7646 31753.3577 32829.2444 29765.6585 32047.6594 33333.4841 30508.0640 29377.7449 62933.3055 64655.6302 63717.8934 60801.4624 67367.9506 63171.2065 60261.5396 30870.0113 30776.2630 31629.4228 29848.9246 7711.5713 7622.5392 7092.7172 7505.9788 6835.2263 7996.7146 8431.0665 7385.2007 5462.6290 6082.2678 7123.3025 7234.2634 22696.7797 31539.2013 37996.4369 34190.1775 37301.3138 18226.9862 24371.8221 56476.8308 22257.0521 54407.9305 20650.3725 35981.0754 35210.5595 21288.2591 25463.1106 15665.8030 54263.4128 18332.7499 28321.0267 43145.1350 19787.3433 21989.8776 17094.3779 33750.5972 25420.3981 20907.3268 21448.4674 56596.0852 14137.6846 30695.7083 55659.1635 38356.5689 19483.3740 5558.8076 24205.9088 13529.3619 11910.4208 Car(8:1) CAR 8:1 21991.3722 18327.3066 36565.9116 62182.8898 40196.8072 47275.1227 55691.9465 37743.4155 32046.1750 45622.6556 44229.2561 46100.4484 46768.7395 45647.0954 46255.8933 45437.1296 47792.7624 46021.8788 45436.0605 45072.7652 45706.5386 43210.1156 43712.2544 40915.1060 41320.2223 46935.7416 45382.9571 47612.7264 46421.3282 21398.9889 19645.6092 21051.1168 21359.2236 31110.8565 29143.2787 28243.8355 29967.3204 17819.8623 19341.3558 17843.4236 18960.6901 32902.5200 29495.8145 32061.6273 27554.7458 37760.3632 63813.0367 63021.7334 73317.7039 53414.4679 56196.4728 21124.2054 29083.2078 30606.3930 21862.8015 24755.2428 63535.8242 74473.7222 36114.5015 55393.6790 49811.7905 41455.6619 35532.1022 27390.9888 52111.3012 35723.3342 65329.5773 58939.8994 102269.6924 40993.5808 59855.5590 41495.8505 37169.5069 22396.5470 7202.7959 39682.8252 27069.9838 20332.1026 Car(9:0) CAR 9:0 19135.6007 15772.2179 33096.8979 35046.6626 11376.1376 21220.4599 8959.8872 17181.2020 9954.8520 30949.3445 29902.7853 23883.7198 25466.0694 25061.5985 22994.5470 25075.4354 26883.5236 28409.9490 18110.4264 19050.8919 16745.8970 18376.6959 18648.0201 21323.4587 20634.6192 20617.0648 26316.1822 26035.0399 26694.1328 4816.6207 4840.9168 6099.6990 6416.9783 2595.1033 1395.7419 1223.9714 1108.5099 921.4515 1130.8967 1138.5476 1615.2369 31146.2113 32416.9631 27966.8192 32706.7052 32202.4524 11082.3936 17818.8915 46005.1090 12188.8514 23698.4930 21147.9695 26696.9636 22736.0722 19156.7913 23947.0536 17424.5656 36635.1246 6678.5052 24875.0433 22026.4390 33027.2886 21359.5638 16764.1502 38400.9579 25665.6135 10875.7303 13633.4151 56525.2028 6630.2764 13831.4281 31897.0034 27432.3520 24939.7227 3121.4157 15750.3778 7349.0824 10781.3753 carnitine Carnitine 14775170.9672 13628942.7801 14265059.0627 4202962.8699 9562738.8841 7633952.2214 7829450.7560 9248392.4559 9940983.2870 3624.7218 3825.5810 18466.6609 16504.8238 3335.3203 3103.5295 29635.1000 31889.3212 11850146.7205 11402565.8729 11089583.3728 10842758.9712 10999761.5055 11169591.5831 11184098.3494 11115079.2036 11348318.4600 10356884.0568 10131541.4364 10266732.0725 10194335.0634 10260179.5998 10474319.0311 10483606.2671 11346995.3813 10826407.1033 11070725.8206 11139300.4390 435972.0743 438861.4232 413260.8311 410817.1147 420272.1523 422947.7030 411817.6961 395877.4653 550618.0064 565924.1995 510397.2818 527511.4549 14785432.0782 14513140.7749 12955057.9074 13009261.1103 13086961.4812 10943263.0079 11049597.8285 10733159.9924 6614686.3060 10015576.0055 14088928.6524 12998774.7745 14199549.6972 12933125.5499 13940766.2497 14301348.0799 12105029.1246 7781344.3577 14234752.5264 12574040.7239 15358394.1010 15143780.6825 12492872.4916 15467143.5265 12971393.7446 8295235.8265 8737152.5201 10859951.5960 7952925.7291 9977934.1005 12527512.9003 13970038.3059 11495955.5108 2776438.3278 9568091.4210 5970244.8955 4938785.3554 cholesterol (-H2O) Cholesterol 896028.1265 1065032.6239 925591.9750 948136.9186 516287.2521 695335.0121 513685.8686 668688.7508 603359.3488 635708.7826 774497.6041 704302.6269 690906.3111 674644.9166 661838.1760 648090.4612 649306.0688 728269.4422 923814.3730 857124.4487 821918.1766 778630.1965 764424.8752 758252.0704 1057654.1631 770036.4343 676294.3373 670030.0579 645409.2717 464986.7131 471508.9012 379998.6697 384179.0979 525715.2419 531720.2528 405561.1865 384665.6211 498756.3883 513053.3998 390444.4290 419790.3918 849280.3021 738838.2449 822841.3276 918169.8228 798463.7206 582054.2641 681701.8023 683761.6407 525098.6688 563879.6232 712960.1961 772616.0818 1031441.4944 939564.9524 758763.7823 620044.0260 704795.7998 592271.3185 685908.0645 647137.5611 847365.4031 887725.4628 814819.7387 990573.6499 920479.2645 580438.1923 530647.4386 693759.4044 551612.4568 732133.6655 911952.9326 977243.3581 783992.5494 686573.5963 708799.6399 501287.5706 473214.2767 choline Choline 7863315.0690 8030744.6001 5708160.1238 3994013.1663 9275626.4603 5654870.0685 6135599.1776 4830234.4249 5576048.6434 6812.0438 8930.6503 34695.0226 31037.5944 5596.4995 6194.1301 29934.9522 33809.3345 4957914.1569 4726095.1681 4974515.2083 4807532.0562 4870719.4960 4938249.0334 4957284.5082 4920240.9099 5007833.1600 3792623.1003 3752401.7109 3776929.2460 3729484.7072 3664997.3927 3821954.7199 3842842.2337 4183685.6796 4759493.6426 4934558.7427 4946036.9485 1215223.1900 1229662.7586 1148714.1757 1137235.6256 668045.0820 663722.0703 637994.9603 634665.7622 1242861.5033 1253509.0951 1169752.1889 1184857.3984 5329270.8734 4590315.9177 6172120.2593 5069262.9098 4929802.8338 6107044.2255 7184030.5316 3192451.7070 3072836.8633 3119061.1710 6259053.3976 5268671.3751 6372414.5819 5724141.9849 5622004.3878 8189572.5479 2603415.2362 4834160.2322 5529018.7285 4571473.5647 5827149.3000 7704471.0997 5035121.3532 5139142.3234 4477311.7482 5389418.1196 5212461.6924 3276312.4948 5578386.0241 6797712.3065 5487411.3229 6023882.1903 4679019.7962 4175011.6487 7814930.9844 5451251.6439 5469463.9250 creatine Creatine 7272020.3191 8256107.9496 13603536.9363 10865877.6191 6149327.0435 12737316.7789 7902461.0709 13479619.1269 7596774.7102 5329.6094 6795.0602 10549.1398 10529.2343 15453738.0761 13569852.6192 14198078.7068 14343531.3213 14057172.2322 13923233.0210 14015429.2310 13791813.5840 13964467.4616 15893529.6081 16719232.1234 16879472.9780 16820736.3710 16105521.7244 16666675.0892 16397113.7552 13392034.2234 14571263.0407 14466074.1457 14319080.1239 2480262.6808 2476079.0684 2225633.2161 2137386.6805 1464130.7574 1489133.3484 1314399.8660 1334427.2438 1610769.5017 1633585.0599 1485607.9916 1484221.7935 13501835.1484 16211718.0529 15001449.8975 17500744.8365 15601219.1153 8457798.5882 9174458.9097 19881437.4922 13163344.4082 16881103.0230 11708019.3863 16529465.2614 15708883.3472 11824977.6466 14511027.0205 7595002.1945 18517157.7215 12757819.7429 13297868.7437 14781822.0338 13627089.4909 12675277.1934 12025745.7730 15489508.3347 15713466.4897 7653923.4819 11360430.7965 21834693.9675 7360482.0579 7352523.9246 17351363.4142 14649791.6904 12896336.3074 4565758.7166 7744729.8795 6196741.3253 4930150.5601 cytidine Cytidine 37911.1195 44974.2789 40013.7080 188734.7531 42768.2355 21418.8798 27083.3010 23362.8551 32218.3655 28918.1356 31051.7655 30845.1330 33655.7608 31197.9903 30816.4772 31972.2698 28616.0427 31828.7277 33435.4985 31889.4596 30122.3810 32602.8832 28848.2631 29903.9933 30654.8052 33694.0389 32667.2384 34366.2218 32025.1063 53996.2268 46224.1845 44006.1974 41231.7743 56103.0526 49258.7068 42595.6956 39606.5313 79387.8592 74747.6559 69052.4953 61455.3129 39053.2895 29102.0650 32511.3660 25271.6400 30485.3525 32111.8544 29970.5570 20260.9415 19362.1883 14448.9484 37614.6569 26921.2079 30242.5959 35725.8939 34378.8379 29714.7138 15953.0249 18080.8416 29886.8179 21353.1008 38969.6417 40041.6212 39402.4430 37799.2922 27656.4949 31908.7255 34630.6091 18333.1104 28330.9006 22907.6353 29651.8716 40845.0982 31424.8647 29136.7669 64667.2502 43233.2455 32974.5061 deoxycholate Deoxycholic acid 8145.1346 28144.8335 46840.0521 41071.7107 6586.2099 8379.4504 3519.0385 10884.3433 10768.7175 3701.1771 5065.2544 3347.0470 5113.5286 7240.5560 3197.3704 3829.3316 2701.4822 31010.7577 35173.2132 32030.4460 35990.0269 27997.7939 33510.6289 27050.7423 30272.6076 31436.6286 35684.0430 35465.7524 32165.6878 40374.3181 36404.2996 33784.7841 34752.1232 29463.2778 32450.9567 30814.3358 31505.4299 153659.2769 159765.8530 183170.1758 190239.2942 13092.3601 14698.8203 19725.8759 23193.8874 37203.0397 38006.4067 41482.0685 45804.4954 6641.7968 11041.3653 52533.7011 84534.6062 49992.8555 4581.0807 5903.0014 3350.7454 12626.8160 7166.0144 5179.7114 38106.3914 177876.9504 17680.3985 66640.9497 4714.0481 6274.7612 45852.4648 11501.0481 7277.0278 82838.6866 11364.7534 11005.2087 28467.3673 5153.1265 8180.8397 9157.9462 8192.7015 4979.2460 8256.6966 12010.2997 10114.1176 12177.4660 22040.1048 19473.7164 6673.7986 16668.8284 deoxyguanosine Deoxyguanosine 3992787.3829 4062061.3989 6100698.6032 2834898.2286 5919214.4530 3754741.2007 3964167.5033 3248395.3273 3735923.5356 4956386.1272 4322905.9737 4481941.9167 4425052.3610 4313019.9735 4131727.4770 4286132.3664 4257362.5935 4387349.0096 4167258.0833 4278105.9738 4222611.0380 4134649.9005 3849288.8642 4078046.2972 3997974.8703 4228221.8145 4472973.6685 4267100.4953 4355704.9428 637920.0639 633941.5438 632638.0118 625844.1957 845600.3695 852801.9932 807127.0532 826130.9283 1530159.6163 1576400.0691 1513838.2234 1542653.8680 4574463.2381 3925168.7687 4674004.1070 4725081.9449 3984022.6138 6048557.4005 5120831.8771 3761903.6294 4001188.8512 2898587.3921 4109294.0851 4797137.6992 4140766.4490 4172045.4664 4289994.8630 1988619.8494 5168471.8662 1940118.3404 4431293.0983 3552755.4553 7430416.5342 12515214.9928 4922375.9284 5920338.4116 7794805.3101 3610050.1693 3399409.7514 4568157.5310 2815325.8874 7094316.9877 6441066.4474 9067852.6872 5424410.3977 2101992.9603 7228434.0988 3100299.8785 4142477.0710 DG(18:1_18:1) DG 18:1_18:1 5996637.9261 1193597.6449 1068752.3404 3287837.3045 1058822.8683 14229.1884 9722.4593 31183.7311 7337.8444 4540.3908 4003.7632 12540.1322 11639.8067 4225552.6040 1964740.3507 3153030.5385 1598858.9934 2850573.2735 5259048.1961 3216466.4500 1085321.0089 1383583.9287 1900662.2448 1501288.9784 10667705.4199 7236311.5158 8924961.2457 9567965.1095 5984970.3536 6488064.8939 2578386.8160 2501251.5674 2756807.7604 1904249.8946 2617799.3500 2754756.9374 2388946.0439 2349943.1724 2369074.5038 2797984.7348 2209825.6642 2277459.3144 2279059.7289 2341247.4802 2184369.0167 2556072.3974 2610037.9647 2114969.9543 3029292.1159 1916999.3224 1333338.1738 761090.1231 720351.5914 1349833.6709 DG(32:0) DG 32:0 736625.7217 2577225.8051 246057.8700 528290.1383 262264.9506 1932164.5507 171199.9746 521657.6715 454009.5345 1753004.0491 1082195.5811 603873.2797 316747.9797 1752787.4422 869640.5059 1123220.1791 1222617.1555 2968036.1978 3500627.1705 1109821.5626 344035.6649 865599.8377 734273.5391 719043.2004 974088.0975 1024692.0024 317898.4395 661134.4751 1139448.5979 5714485.2880 6001097.5200 4966102.9604 3304247.4582 1728848.0306 4946631.5547 1186632.0369 988760.3010 5297772.7413 3416846.2152 708973.9266 1800904.2893 885076.0165 839252.8087 457035.2042 670029.9920 1222338.3566 432690.9777 219271.1492 236523.9413 579375.1178 1110337.1067 1046467.0706 1095471.1273 226513.2083 2713080.3429 745397.0161 322713.7590 527773.4414 203204.0050 346706.5575 514097.4111 733927.6883 534263.4022 624394.1197 597164.9824 335047.8173 1580792.3262 492472.4611 286468.4101 551783.7941 375798.7085 536986.8123 233375.4285 577127.4116 320694.3522 497045.2892 839140.6362 604835.3633 DG(32:1) DG 32:1 1388379.0327 1427140.7693 738923.0602 634963.2877 526394.6778 732145.8904 615545.2167 414784.7924 324121.6262 757467.0139 613536.1739 383749.8817 439067.2638 669204.1802 462793.5064 494971.6457 621421.6272 866622.1011 1182285.5149 814250.4671 495598.8449 1073727.0156 550238.1150 526015.6403 1066012.0778 736015.1796 591670.9195 454241.5023 716960.9326 3494075.0670 3744847.6513 3892714.5386 3401380.5589 812302.1036 2418671.3591 564131.3542 758058.8419 1728547.1727 1219416.6891 780544.1472 822405.9753 943674.6462 491443.5010 755438.0418 519904.7839 545199.2209 494540.6104 268362.9197 292542.4098 329346.5917 518724.4448 966170.0498 594951.8444 528757.5397 726018.7636 1068761.0082 323887.8765 196331.3003 517028.9772 244681.9870 261966.2416 626037.0306 720995.4062 831952.0631 516313.0159 591890.3559 343129.0095 348157.3661 471607.5970 567851.7949 477386.4767 772141.1235 338646.0549 923108.1144 335119.3032 303132.9201 569776.5455 273456.4875 DG(34:1) DG 34:1 5744031.8300 15696162.9671 3534967.0356 4912870.3756 2481259.7446 9116312.2913 2143480.5281 2489923.8348 2663177.6272 8775527.1067 6679297.8852 8602700.9096 2844997.6513 5439752.6107 6044876.5585 7461517.5980 7757461.7849 13256666.1207 17872822.5506 11204145.9381 3006584.9704 3684257.1045 4971830.7024 5415512.8299 6239920.7815 6312676.0881 2736610.5848 4204678.8003 6123179.4784 18150683.7898 16834512.6981 13813429.1455 10439939.2092 9065402.3337 13600985.6971 5003642.5480 4479819.1469 15039828.0075 11166253.9739 3496800.3388 7689394.7946 7100623.2167 4585390.4864 2000850.3639 3405464.6317 11319575.2548 1543816.5319 2248318.6608 2366321.2984 3140747.6806 3898822.7508 4476055.9033 3596745.7747 4027823.4385 15791088.3819 3488797.3182 3155272.7467 3236326.8434 2219149.4008 2885381.5576 2060550.4095 2628363.1192 4346944.2763 3617874.9894 4931651.9130 4460568.3924 8086030.1591 1540600.7925 3014278.1262 2635985.0857 2426741.7567 5332320.0506 2040993.9868 4185728.7273 2231688.8745 1859825.4055 1710832.7671 3689977.6431 DG(34:2) DG 34:2 14341769.3489 17638084.1321 11847844.3984 25578844.4316 7644758.5863 15068493.3095 8573910.6340 6293745.6452 9259145.7145 13083027.5914 15549823.3144 12968343.8502 8308961.2024 18123567.9211 12396175.6477 12619326.4248 14755449.9038 23346422.0703 14881096.9277 12490651.4897 4302076.9297 12354812.7634 6590244.6214 5691965.5309 9661917.0784 18630878.7920 11165017.1483 12458519.6286 16796655.6042 27655731.4861 29954550.1720 25072197.7880 22329477.8351 16179105.3415 34780515.9846 13339797.3137 12891379.0921 32468616.0767 27713514.4907 12785656.2839 16997053.1993 16606976.7851 9480651.8997 10514976.2183 10735906.3081 18430071.5956 9884863.9293 7229449.1348 9680780.5505 8796396.3760 11190340.1444 15472808.4605 12946975.1099 10001485.6406 20708755.6561 14949674.1445 10012673.5600 7121710.1583 9095646.4715 8695791.2380 7365658.3132 12367745.8912 8711852.1050 15406761.9291 9832941.2519 7515432.3437 14125281.6509 12954082.0841 12071860.1514 10838125.2987 12872835.1250 11374613.1126 8523524.5672 13144938.6139 6120497.9591 13130235.1247 17124746.0071 11879104.4715 DG(36:3) DG 36:3 6688432.5988 7862872.3965 5700632.0152 15446239.8431 4124962.3689 6877652.6841 4132107.0394 3925559.4932 4831948.7165 101640.2935 189296.2219 440644.4735 190726.5454 72133.9998 71119.5364 91193.6320 136946.3160 11969975.7685 4722309.6700 6154694.5895 4763013.7622 13456744.1823 8090251.6049 8676979.7071 9967447.9932 17703987.5213 5781883.7243 6209520.1955 2088202.7888 6256604.3609 3488425.5796 3118488.8447 4948887.4727 4917173.1779 5747825.6139 7530127.7875 10953485.0885 11282966.5065 11001758.8566 21427555.4093 17847904.4303 16014558.4606 29605153.5165 13913984.2745 12011160.6958 24514712.0200 19642246.5417 10893255.3096 17664437.7641 8156413.3924 6270513.7547 4926193.6175 7649821.1040 7178058.8937 4336844.8872 3124986.9847 3714210.1999 5958334.8336 7731215.2426 9053379.3492 8722855.8765 3510613.4378 6668788.9697 8665178.3150 3108135.8290 4625514.7051 3848233.3002 2725957.6391 4323464.5163 8897935.5723 5249022.9974 11022211.8511 5657634.6129 2607416.1212 7582990.3121 9039924.2769 5980621.9018 7887722.8016 5611885.6434 6791533.3535 3369147.6151 6573946.7617 3094581.9388 7477661.7635 12195912.4654 8198865.7914 diethylphthalate Diethyl phthalate 67138.1320 47809.4431 64644.4284 52341.5884 58530.4981 48097.3349 48716.4290 35279.4740 35675.4871 163636.2941 168968.6562 95576.0184 113846.6584 50791.2352 48556.7430 35495.5954 35617.4299 84127.2118 85985.0418 62091.1160 69703.5026 76078.8857 72015.1548 68433.8585 70061.9286 79467.1546 91535.7410 88339.8196 93587.3102 92689.9248 82414.6767 93356.2057 100159.5531 72140.3205 66962.9184 72472.8737 74333.6239 12153.1476 9984.4105 11570.0167 13177.2951 7233.5012 8354.4744 7599.5133 7952.0014 13458.1974 13682.1861 14304.9819 16598.6451 77541.0414 43350.0891 65510.0447 67103.2512 60160.1376 52958.9584 63023.8910 58545.4104 39504.6017 60623.7569 76269.6500 58098.7318 84807.3253 83759.3751 84557.6078 59041.4530 74830.0624 48769.1789 74826.8974 73854.5486 64593.3134 61742.3435 61302.5804 48314.5583 57453.8865 36788.4036 57635.9511 65744.5779 39770.0746 56963.6699 58775.0023 61589.2094 7281114.4189 31406.1861 62570.8894 41613.7391 6497162.3600 FA(12:0-NH2) Aminododecanoic acid 43331.6451 56237.0985 54600.0997 13687.5540 10371.8646 33222.5449 19613.8581 65790.4808 20580.8097 2498.2803 4129.8380 3323.6321 2886.0671 31035.1518 32742.0741 32855.3416 32717.6958 34321.2583 32047.3773 34005.9069 33115.1672 35624.8890 34400.2316 36436.6535 33243.1390 33269.1219 34611.6847 33520.5560 32455.4809 33821.2059 32495.8347 32235.5919 32975.9173 8484.6569 7870.3647 7839.6167 7335.3648 9249.6540 9640.2650 8350.1535 8599.5010 10395.2241 8820.0227 9914.3914 9033.0834 9022.3709 30340.4064 41806.4614 15768.4877 9026.0153 7305.9655 10545.5527 12993.9318 9834.9370 10865.2394 25272.6524 14766.9664 21329.4163 8883.9639 16160.0962 11371.2647 18606.2932 10762.1583 39947.5004 12223.7993 62145.0537 12567.1511 51283.0518 25317.2335 20339.7685 24824.9983 98319.3337 23383.4854 98077.6388 13440.0524 24559.9195 11633.4752 31093.7019 84783.1703 65277.8647 15751.4021 14321.0382 FA(16:1) Hexadecenoic acid 48574.0757 87510.8709 86907.1083 44410.2849 31371.9457 42259.7169 32498.9508 20851.8557 36404.0290 13511.7741 14507.6592 7563.1627 9786.3826 22167.1035 17729.8357 8576.5729 10904.2388 58304.8093 59705.2960 53354.8533 53772.1299 48049.0654 51612.0924 50044.2869 51320.1823 62188.6733 120389.3230 89616.0230 90826.1784 88471.5095 83658.0048 75865.3544 79982.7965 61080.5993 55135.1880 54452.2716 50727.3538 291658.7915 302209.5553 220606.8104 223715.1991 88178.8573 76812.7959 53016.7964 53945.8302 50767.6612 51070.2746 45151.9623 43066.0762 35817.9511 55357.7590 39516.7231 53557.1098 35911.0021 32019.0410 34175.3888 36596.0762 36212.7744 36038.8515 41942.9736 42383.8154 46909.2346 47281.6167 31824.9896 49050.8781 22990.6644 38724.8039 36827.8076 25280.3382 42285.3352 53253.4241 42219.6401 48739.1259 86424.0399 58216.4884 34808.7748 50923.1243 33107.8951 22243.8180 86548.2713 53929.2321 62852.4397 51547.7143 39641.3156 32111.4877 28747.5656 FA(18:1) Octadecenoic acid 66773.5759 141597.3423 188244.9620 145695.0120 95568.4907 95288.2386 105632.2424 52395.1474 76662.7602 108189.7233 117491.8124 107921.2983 109559.3572 94264.6636 100721.4497 95307.8510 92668.7692 97732.1948 56145.1637 48470.7588 49096.3442 47137.0084 44621.8046 40507.1638 44113.8357 130633.7603 108615.3327 97653.7648 97633.0867 343086.6068 336902.3355 300812.3540 274115.7756 363983.7593 391692.6772 343004.4053 337596.3876 162898.1467 171466.2201 140909.0572 128711.6545 103366.8156 96258.5124 111386.8185 89086.6987 96782.7025 70934.5218 93654.3915 87537.1468 83797.4762 93336.6991 118588.7569 98931.8494 102088.7086 120312.8460 93789.6708 106911.7095 88149.7074 204118.6018 83740.2725 76314.3185 74349.7547 94825.1313 79104.9322 83839.9882 160625.9850 93620.4609 74946.7011 164163.3147 82476.1412 69050.4260 150222.7671 68293.9626 96134.7029 72445.5479 70425.9386 106783.8291 100463.1092 FA(18:2) Octadecadienoic acid 179030.2208 283059.9116 308982.1441 246916.2831 234946.3435 240393.7403 240057.0674 149567.7953 204653.7338 256388.0534 261338.7265 223274.0763 230399.0103 215387.5863 206871.9508 186745.5549 195576.3929 241629.4391 99621.9162 83722.8410 85159.2583 80071.0012 79479.7516 76845.6807 76462.4858 285798.1248 236906.4237 226136.4482 204900.8820 668565.4911 649768.2890 613935.8510 584448.8503 630637.6730 695351.9121 627400.4379 663701.9411 418205.3080 458205.4943 376986.6490 398369.8347 210285.5773 213839.3579 238606.8006 222944.9774 209004.2760 212343.0141 229793.1797 236382.6774 224873.6313 234181.6171 253517.5632 210896.0986 263285.7645 274705.8783 210456.5290 248362.7641 229457.6280 402965.2328 236330.6237 192934.1085 187008.1143 213220.3888 205994.5176 207624.7091 322141.4366 281837.8878 208546.2609 360537.0666 216482.2168 183177.3602 306794.9303 169863.4749 235047.3574 228894.7214 189010.9759 245701.3192 251302.1933 gamma-glutamylisoleucine gamma-Glutamylisoleucine 93503.3767 115203.9983 95015.7196 181465.5913 30562.5157 49956.1440 38009.2592 51534.8629 50894.9527 70737.6574 77757.5228 79262.3343 77222.0192 80119.4397 54070.1200 65544.3407 76275.5905 78678.2364 64660.4187 61751.4741 60526.7086 63524.4970 61730.9865 58762.6882 90772.4417 80245.7547 76540.6129 73668.5918 59470.6934 45201.4399 45897.6377 48766.6121 49318.4638 52039.6058 49236.6325 53075.6554 52611.9510 55190.6156 52927.7657 54779.9982 57685.2156 86364.3948 71180.4431 99589.9802 87002.7579 91285.7714 47331.6024 52048.5596 30957.0404 43836.4532 53927.2989 80799.4884 94474.2765 85289.1131 86784.3451 80983.5472 60899.8321 65861.5253 35519.0618 57774.2207 27773.5097 98323.0404 106007.9097 65862.7843 105231.0365 83622.2371 41990.1085 37447.4410 41054.0080 44243.0576 55935.3567 69960.1395 106764.4817 52434.1700 20984.3458 87282.1093 37060.1867 33840.6371 gamma-glutamylleucine gamma-Glutamylleucine 77699.6815 92251.3413 93321.0168 190840.3160 30836.0222 42646.2213 37022.2375 25588.8860 47437.7930 68859.8758 70539.2531 69002.3944 71631.9457 39523.9148 52467.1265 51831.0369 71595.5647 69972.0062 54752.4214 52330.3669 54547.3037 57870.0216 56189.5687 52579.9819 58014.7884 57588.0939 76967.5323 73929.5465 72316.6174 58766.5377 58358.2980 62828.1615 59639.9642 59817.5706 57637.5265 64003.4472 63624.7107 67535.3577 65204.0393 69996.1531 71643.0936 85707.8990 59686.5142 85211.1253 81399.9524 83534.5142 44860.7340 45300.6676 38035.7251 44373.5618 50083.9255 81848.4268 89740.4910 71676.9155 78600.6110 73185.9336 53154.2276 57399.7331 31218.7269 39629.7907 26986.9458 91082.7721 95304.4589 59673.3422 88412.7330 80109.9516 43949.7569 41717.7918 40492.3211 32569.8443 17035.7544 60797.5430 88681.3902 51428.0193 24061.5808 79135.4704 46251.3957 38975.9710 gamma-glutamyltyrosine gamma-Glutamyltyrosine 515722.2467 802440.8727 372701.7192 207640.4607 289520.5807 225449.5168 232437.7825 321643.6329 283446.0902 202464.1525 256535.0700 269275.0879 284514.5551 274526.3665 277120.1552 276804.4021 270311.6754 270016.0718 13801.1348 15978.5811 15772.9208 17947.7455 16540.8064 15818.3204 15909.3562 265720.9392 285028.9677 275378.3340 271555.6721 8470.3163 8621.9228 9058.1915 9635.1615 4457.6645 4980.6004 5473.8154 5480.6698 8134.8682 8409.9676 10416.3564 9167.3296 331156.9036 126129.2055 241219.0258 300413.3222 212515.6315 388032.8020 356974.8734 147034.2937 207182.6487 131922.6723 471501.1653 394757.5284 627405.7937 394899.4973 476648.2145 716911.7100 128485.7817 310805.2219 252652.9398 212511.5679 183788.3318 490313.2720 122971.1481 259624.2460 348594.3683 160449.6229 86591.3958 116183.0800 254771.0718 332773.7360 277849.3010 597147.3481 197709.5391 140125.4842 152629.3087 90478.0425 86798.5591 glucose Glucose 20235.2495 17663.2009 25962.0556 15447.2953 20363.7131 22348.0035 22045.8409 17603.3820 20582.0184 13447.3935 20391.4133 15669.7822 15959.5692 15278.8850 13313.1442 16804.3286 20996.0378 12850.7778 39842.6803 41889.7716 40245.7275 40090.9427 39052.7327 42096.0549 38460.2749 20094.1026 13929.8910 14335.9639 11934.9809 35867.3929 35151.0976 37693.6981 29018.2020 56224.3646 53790.7557 45971.7790 53559.4515 40664.5939 45942.6111 36085.7367 42549.5492 17161.6308 24648.0532 16269.5630 19398.0951 20429.9981 31660.9077 33621.7855 16224.7292 23015.4315 13583.9938 18507.3868 16999.8716 20018.3777 23201.9157 24548.9708 25043.7459 14342.0149 19771.9300 22175.0618 21991.1425 25253.2158 20852.8397 22278.7465 21474.6587 16048.0163 33044.8594 31081.9537 15374.4272 22701.2701 24931.1532 19936.5398 26716.1106 32066.1175 22694.5128 42369.9714 31833.0365 50600.3112 Glu-Phe Glu-Phe 23205.6789 19582.3345 22523.3682 53587.5787 7390.1101 10358.0631 10733.4621 10170.2129 14352.6111 14708.4142 14774.7066 14924.7373 14388.2580 15192.6961 14934.4184 16016.1008 14543.2548 13836.6963 12813.4176 12049.3250 17287.5300 13108.5338 13826.3499 17481.7460 22528.2724 15532.1295 14947.9230 16512.7048 14815.9830 15117.1541 15648.1923 15675.6895 15558.0488 17914.5136 17651.0138 18383.9692 16972.9742 17664.4074 18533.6841 18008.2858 17125.3646 17011.1334 16055.4513 17586.2545 16993.2399 16548.8981 13836.7355 11123.0261 13449.2436 10297.0814 9004.0955 17298.9310 18591.5574 22498.9454 20147.0099 21906.6028 15191.4147 8985.5128 10665.2713 11714.4154 11734.9541 20921.0546 20851.4096 13576.1275 17868.8664 13519.5527 11668.5786 8249.3117 13790.3692 9544.1635 9497.4423 12114.9611 20359.2496 12701.0273 7786.0555 24644.0803 10414.3878 12931.6610 glutamine Glutamine 366996.7015 260318.2510 273069.0593 232990.2570 115188.6967 197019.6893 178122.8298 260832.4852 249372.9833 280257.0724 246435.1623 298396.9575 298618.7939 303751.7309 318013.7630 307379.1479 298830.3305 325676.8310 238474.2460 232433.4340 249763.6505 234040.2881 231935.3181 251348.7444 249795.2944 299781.4414 297973.8691 299676.1050 315297.8577 20135.6320 22059.9340 20656.4074 20786.2712 13216.7725 14546.4897 13031.5339 12656.8026 17099.0207 17529.6809 16044.4742 15800.9920 443005.4905 469758.8786 408263.8737 443777.8118 385108.6437 207909.9159 203114.9618 401288.8173 196767.2782 348870.5594 330034.4656 450584.0119 441274.5570 297895.7414 254483.0546 249420.2893 431153.3742 238643.3344 314910.1200 317550.9175 442481.7360 359942.9008 282235.5483 405439.3122 354578.2044 125166.4922 159375.5841 428985.4349 145509.9565 195364.0738 436785.5013 352031.7678 288581.9011 104695.9092 144519.5739 95267.6173 73163.2015 glycocholate Glycocholic acid 477784.3587 323120.8893 335625.0192 358391.7620 207791.8566 249215.0317 97253.0004 121740.2441 43155.0915 1979.0333 300509.9893 348027.8979 346389.4977 366875.0779 341871.5616 343559.4221 359956.6953 359664.0823 380317.3999 193823.8071 197286.0651 219853.5026 231572.0274 216795.5169 216240.7042 228248.7721 343389.7773 369332.8117 353673.2099 364789.4372 95617.6229 99707.8061 101820.5028 111638.0691 48891.6950 69446.5771 93989.2463 81404.6336 83442.6568 99214.5669 91591.1351 92976.5061 96611.2930 113615.4539 611603.5493 515757.7782 660201.9999 27245.9634 11846766.0002 28830.7030 64768.0324 86846.7211 60163.1230 182305.2847 296635.7450 153516.6099 468450.9849 18947.3015 192450.8947 155277.5935 68994.2410 75689.4745 362057.0885 223033.2873 621378.4595 154472.0196 263576.0471 30586.8236 85214.8464 8454.7986 78981.1782 54760.0910 360907.7984 172198.9708 252417.5065 158334.6564 666013.7210 163331.9125 102955.7842 GMP GMP 1971369.9593 1732928.4712 1637731.1816 723743.0746 1330990.8281 1023182.8191 1340756.5409 1465281.1842 1281540.1744 731809.1515 697581.1344 692146.3965 762374.8579 742315.1048 738758.7148 750530.0171 763288.8822 800387.6444 259537.4453 259766.0909 269154.1361 273909.9323 276806.2603 284607.3911 288362.9739 739508.8192 780322.3408 794001.6127 777741.4983 280465.6663 267236.5497 353165.6188 319090.7953 111435.0031 109726.8156 133926.2284 136890.5923 167270.4249 171656.9997 220143.7991 226828.5340 1018181.2336 1016028.0616 1105271.0418 1235755.7265 861562.3144 1563858.4286 1315576.5295 486644.5082 1071280.5719 776306.4826 1239136.3759 542506.1645 722957.1447 1028780.0286 1285461.5859 1394779.8177 467864.7902 927685.3799 1034774.0287 1038795.0159 1001536.1935 1264075.8928 1063740.7073 1241589.0554 911376.6159 1309093.2920 1385778.0735 502178.4115 1443820.1733 1788138.3459 1244946.6017 1036281.4212 1390167.4350 966995.7613 1391902.4986 1226213.9626 1221612.0592 guanine Guanine 3340513.8929 2691109.0385 2774603.7016 1933516.4738 2189369.7927 1426959.9715 2096647.5981 2074228.2376 1896263.9963 1181432.0992 1070688.5332 1142744.1016 1223258.4509 1245297.8676 1263510.9526 1125605.0462 1123451.6711 1131007.6619 1436153.2311 1483835.4325 1532474.3315 1747568.3967 1533017.8470 1407113.0371 1400905.0816 1074129.7076 1203738.8331 1278278.3326 1123497.3860 264676.6173 284883.3659 278340.1560 284146.5207 183010.0419 140029.6505 125956.0719 120098.3195 180828.9179 179575.4271 180238.2427 166348.5252 1712235.8387 1550848.5735 1832166.1161 1855137.3776 1336624.9681 2432964.9048 2769168.3152 653156.9979 1326821.1044 1038637.5362 1723547.2627 714500.3514 1028102.3478 1469730.8681 2005799.5369 2110760.6480 579350.9275 1171759.5195 1486799.6342 1582160.1205 1482161.4993 1919831.8859 1600466.0536 1937943.2357 1402786.8440 1913297.1306 2365430.3101 650571.1157 2244245.6665 2647124.9862 1852177.3492 1615426.4574 2010907.0831 1101995.3541 2811786.5124 1971776.5534 1709610.0856 hippurate Hippuric acid 26427.9284 22386.3320 83561.6260 96944.5990 11109.1260 32825.8126 14167.1805 27636.4911 8227.3989 23926.0505 30307.8044 26928.5560 27889.9146 26765.6137 23730.6231 22981.1319 25086.8925 26962.0550 38079.6513 38354.8787 35302.8298 29927.6930 32563.2154 33616.0129 51054.2837 28642.4469 23949.8473 24547.9907 21350.3585 35693.3389 36644.1645 31534.6743 33803.6087 51905.1091 52668.3892 49577.3757 46350.5116 70622.7463 72512.9432 65259.5566 69436.8547 10742.5701 17029.7307 7590.4077 41704.8206 24709.7215 10355.8118 7491.1646 4508.1655 6781.0502 11861.0445 12590.2402 23299.2388 14718.6828 37375.0807 33469.7686 14060.9827 19254.6343 10025.2289 35940.0554 12533.3395 39183.8809 30710.0099 21357.9373 25971.3277 35337.8248 20342.5043 19552.9149 19456.4774 21836.7464 17460.2202 23784.5814 47710.1965 35275.3707 15954.0208 26769.5906 16030.0285 11040.6944 hypoxanthine Hypoxanthine 3111462.5106 3303097.5642 4046839.5196 13285992.9013 3358249.8851 2961174.5271 2167841.1561 2730048.3641 2295037.1458 3270033.0740 2962730.6524 3018827.7469 3073222.7607 3172125.2054 3120174.9614 2812134.7780 2803221.4113 2651732.5344 5210856.6655 5092181.4628 4901854.6937 5613068.7713 5020859.8643 4469107.6717 4418721.7165 2974076.6967 3098858.2926 3150645.4354 2747259.4222 1286885.5287 1252931.5496 1004540.1166 1007670.2945 1217305.8518 955338.3680 687900.9651 655877.0171 1278678.7679 1211405.6366 956545.3776 925534.1794 3838117.9290 2548202.3012 3625459.5490 2687434.5145 3190151.5376 3024238.6741 6366816.3860 2265272.3483 1743191.4720 1706037.9457 3959091.6487 3450961.0570 3816520.8873 3233967.3602 3847356.6614 3012430.4319 2545345.4969 1593991.4558 2522239.8998 2849720.9070 5009479.6057 6534732.9470 7261253.6783 4330733.2703 4097449.0344 1803799.6667 2747652.3923 2523039.2444 1739238.8079 3299457.9528 3513401.3116 6065369.4581 3005870.7251 1834486.5472 7233403.1412 1724178.8060 2632418.9147 Ile-Ile Ile-Ile 18232.5323 31011.5123 21163.1311 104021.2751 13100.5262 15948.3089 14023.8031 17228.5823 22553.6917 19024.6078 17490.0668 20443.7107 21843.9226 21940.9913 21698.2737 23623.8517 23091.7224 20173.8555 5945.7725 5326.8463 5891.5565 6065.5776 6092.6733 6734.3544 5747.2196 19661.6474 18783.8658 24425.1314 25166.0128 11870.9948 12134.6151 14003.3626 17420.3328 6311.8055 6595.2030 9051.6394 7909.7924 13563.1415 13063.5213 17931.5174 16264.2430 23375.7212 24379.7205 28323.3010 23476.2303 18750.6739 18602.1999 12846.2989 10096.0995 13806.1802 14619.5411 28694.4929 19210.6213 18950.9696 20661.7732 25260.0053 16217.7009 14203.4055 11205.7026 18499.1433 20035.4961 27658.0927 29605.4025 20437.4832 35622.9146 19835.6751 14321.3580 15950.3358 9252.1770 18284.0733 15690.8141 20052.9306 30916.5250 26140.9418 15020.7189 30510.4675 21337.9413 16865.0959 Ile-Pro Ile-Pro 351973.9604 325005.2857 2817615.0705 2670443.1994 216833.7530 4444805.2943 624321.2737 2223956.5904 296726.7911 4384984.8276 5020770.5581 4991106.7875 4706282.3969 4819320.8642 4763351.4609 4751566.6395 4633219.5339 4700401.6743 3083249.0428 2920132.0474 2825402.0084 2833752.2378 2808757.9902 2701417.7007 2673016.0816 5076904.8977 4679880.8054 4756535.5796 4653728.7688 192102.9347 192648.0734 186637.9937 176827.0616 238426.7369 199818.0728 152272.3559 146024.4986 268204.6010 261408.1072 233284.0523 231486.1484 3256161.2152 5623907.7017 4947785.9612 8775892.4006 7485418.0934 472362.4699 1430118.4508 15527670.5654 3320643.8456 12229286.6369 2310393.1115 8285551.9699 6607162.2570 3260210.3460 4876746.5050 274831.6729 13008875.7894 2346846.7120 5118779.1931 6895227.4973 3467820.8141 2501947.6426 2782259.3593 5818663.9110 5514539.5228 432319.4083 2201577.0539 17288083.5599 276689.3221 287428.2550 7875508.8081 5642077.4014 2696946.1325 148308.8052 326534.7379 189507.3671 197815.5521 Ile-Val Ile-Val 23164.5430 19938.3736 22377.9515 21972.8755 9412.7134 8662.2224 7870.3083 10292.7935 9561.3497 16231.1991 16595.3660 14924.2256 14067.0901 13983.9120 14797.6578 15158.5414 14240.3930 15097.5110 15007.9167 16146.4207 12735.2677 12760.9848 13621.4682 16986.4669 12966.4530 15607.5276 13064.4485 12991.5593 14581.4368 1288.3653 1265.0365 1187.7156 1063.8905 616.5375 641.9122 554.2909 779.7988 2225.3408 2185.9596 1361.1965 1844.3342 19209.1715 18901.9117 20655.0538 20684.9844 20195.9723 11191.7580 13130.9861 13129.5107 5256.2440 8562.0217 18187.6720 15977.3702 20966.5811 20884.3961 23320.1771 16417.9118 13081.3913 6096.7261 18289.1476 14723.5353 19895.9425 21355.8088 15943.9202 21354.7058 21049.5398 7928.8811 10143.5711 10153.3432 7673.9161 10879.9573 16404.8578 21944.0566 16097.2107 3335.2984 16788.0547 6018.3913 5803.8311 inosine Inosine 1007791.6677 1513304.0809 1435795.3802 1644529.5167 1703773.4156 1655154.9630 1234430.1904 1331331.4160 1140433.1938 1291547.4987 1472739.4269 1392234.5756 1349997.9360 1343307.2255 1323135.2064 1342369.5531 1327049.5280 1333092.3009 2426754.7734 2261045.2289 2190008.3791 2282953.2898 2140767.8607 2117616.0197 2120542.3620 1464071.9077 1327824.1060 1303257.5903 1321177.6948 842307.9585 837556.4230 699520.3184 680283.5442 1118930.7116 881642.8563 642410.9367 624788.8659 1345989.7902 1235094.9638 1072268.4623 1058920.4654 883247.2920 884404.3994 1105279.9863 1049926.3516 1170021.6891 1768442.3960 1898402.4028 1149930.4254 1275196.3823 1017718.2103 820693.1164 1003311.9797 1077150.4734 1137907.5534 999247.5671 706816.1887 1446748.9577 718678.1437 1182591.8548 1405718.0397 1655578.1307 2610136.4700 2210150.7703 2110663.4972 1771512.8430 1411165.6152 948027.2553 1423971.2512 1058129.1597 1933812.7515 1530945.0293 2483498.7177 1170908.9806 984850.5473 3075808.1649 1354557.8068 1092453.1542 Isoleucine Isoleucine 198540.3552 218161.1218 219744.7735 446011.4137 124035.6831 107519.1796 96822.2980 140830.2230 143016.2688 175104.4327 174574.8415 181911.8908 189496.0681 178418.7455 172233.4398 180698.4513 177930.1280 176753.5944 32439.0276 32230.1360 34010.5764 32505.4337 32923.1441 32388.4120 34057.5594 173052.9819 176919.2329 164496.0243 185413.7866 79267.2450 78038.3248 76087.9612 75055.3675 64035.4851 65584.3587 63834.0647 67022.3786 96451.7927 96660.9553 98966.6035 98705.5854 212829.5594 181725.6158 231754.5348 234701.2620 201229.3819 135468.6774 141539.8868 164893.0701 110472.7973 137950.3188 191133.4825 201899.7389 266827.9576 185585.2516 267251.0903 172118.7269 172810.2759 122340.4520 168323.5459 144744.2358 204685.2105 222168.9736 143344.3142 248422.4044 219421.4662 114558.2540 120869.2183 155671.0692 117130.3723 114538.6055 246048.8019 205257.6266 209764.2863 68698.4883 186926.7045 122644.7707 140973.0484 kynurenine Kynurenine 29366.6060 22127.9740 152613.6262 115985.4381 13409.5909 70539.9591 10700.4473 50001.9858 5534.1537 34666.0836 40192.0072 38755.9890 38751.6936 38041.9258 35358.0282 36286.3359 36804.5327 39331.2161 69977.3869 80610.3650 65405.5954 67618.8829 69288.9528 69721.4167 95397.2683 42854.8384 37399.8069 34555.9773 34725.2999 60207.7671 58317.9399 48413.4551 49649.6978 23638.6063 20564.4924 17385.2086 16866.9702 29111.1527 29135.2215 25238.2861 26666.5470 14581.0482 17513.1901 16433.9508 45754.6737 72659.5534 5086.0067 4043.6084 44572.5703 5363.6155 31420.7564 14300.1936 11813.9286 15768.2052 144368.0531 14022.4333 20396.3984 4722.0577 7105.1447 11521.9968 5049.4642 79976.6899 11277.6416 4312.7584 113596.3316 41306.3693 4208.5215 11885.3123 68408.4897 49002.2387 38452.8861 66722.1029 129121.3887 51373.5396 54990.6187 19501.9959 14263.1750 7268.2199 leucine Leucine 464917.2796 455044.2981 481929.4345 976138.3642 279389.3876 242831.3409 230160.1570 311076.2686 358636.4021 401868.7982 408992.7334 407547.0208 420394.5275 411344.8940 411673.6660 419630.1511 420420.0102 425327.6941 75892.9865 75247.0262 75868.9512 78431.1880 72876.9085 77046.5356 75736.7130 402880.5261 435137.7657 410026.5615 408390.0635 194953.6253 200280.4198 194361.2270 198318.0234 163287.2898 167304.9441 170226.1169 169890.9361 259942.3967 258686.9809 274240.9075 278423.4029 479242.3035 446591.4384 484625.5800 514116.9065 442242.9164 299162.1065 321361.2954 358001.5497 248701.6739 338387.0277 436287.9377 477921.1157 563555.1260 428602.1418 603160.3575 380660.1849 354017.1575 248615.8753 392360.5393 292159.0553 454082.1734 492771.9919 338853.7155 548750.0491 474822.7234 258962.3649 265298.6420 381617.7175 268851.4779 247221.6866 567913.5876 470014.9765 448988.9905 143551.8201 427579.7630 279045.8970 286500.7176 leucine+ isoleucine Leucine/Isoleucine 729650.1073 726628.2942 805081.8079 1618856.2815 447092.9269 381101.4414 363351.4057 492319.7052 568896.0154 596071.5499 607605.2465 608736.4743 620997.1255 601059.3359 603685.8127 618177.1448 627521.4438 622575.3908 114751.0277 115563.1419 115763.3643 117424.7459 112107.9952 114886.9450 114090.9937 610693.8371 626830.2454 608383.8853 610022.4133 292316.7723 293669.4658 287394.0110 297680.8411 244091.6551 251473.6500 252783.0438 255481.8610 383351.7708 374340.5410 403348.2121 403307.6276 760631.5560 691371.4338 792570.4659 798256.7064 685105.2506 475092.8352 511982.4563 561566.1028 392792.9578 501395.5609 665393.7534 733925.7338 877374.8001 660705.4858 935513.9933 592475.7692 539103.9398 393460.6956 607839.2471 468139.1899 723640.3770 790781.3523 535437.0357 850815.3960 744476.9887 407157.5031 428904.7806 588959.0912 429864.5517 400600.8348 891287.7155 724964.2304 708883.6290 231196.9299 673166.6668 436115.8654 457285.9752 Leu-Ile Leu-Ile 20177.9756 31175.0216 20663.2962 103914.3378 13211.8116 17155.5449 14146.6096 17227.2222 22694.5059 18178.7485 19050.8161 20391.6377 22222.9593 22114.0970 21893.9701 23619.0813 24545.8405 23505.1305 5900.1522 5781.3097 6103.8902 6575.5655 5992.1954 6758.9912 6814.3139 21516.7569 20563.3453 24839.2430 27622.6208 13690.1444 13432.4918 16009.1998 17669.1697 7710.2910 6841.7787 10027.7343 9700.9180 13684.9973 14006.6915 18385.7577 17689.1674 23465.6019 24747.0380 27614.9988 25239.0220 20445.2437 18328.1039 13786.3370 11985.2360 15309.1708 15076.7699 28659.0665 19378.6459 19283.4910 20486.2641 27220.8256 17373.7993 15239.5773 11458.6551 18434.0152 21816.2800 27776.2491 29856.9043 20499.6452 35838.4616 21607.6642 13981.8343 15967.6175 11054.6434 18346.6944 15788.0431 20183.1247 32540.4381 26140.9600 14792.0271 30932.6482 20823.3694 16687.8411 Leu-Pro Leu-Pro 379334.5990 353917.8864 2749351.0780 2345431.2097 260738.3091 4328217.7913 714062.3081 2654757.2011 375034.6833 5469568.5011 5225314.6131 5333774.1407 5707806.4074 5397994.5991 5508955.4919 5457273.0810 5387104.5098 5463855.7215 2624324.7717 2831325.8501 2973681.0269 3149647.2853 2922587.8746 2865592.5505 2894243.8505 5237512.7165 5547529.7291 5518169.5115 5396874.5412 214549.5840 216979.8955 218015.5090 221647.9799 151237.6514 149676.0155 157446.7318 157557.5972 245828.8812 236060.1388 263894.3090 262299.0736 3554171.4409 5927462.4772 5347274.9792 9851108.1368 7389045.3678 565167.0410 1367629.2008 15408465.2446 4111164.6598 15071209.5008 2679470.5160 9276091.5746 6544601.5585 3365450.2071 5223618.9433 318007.4019 14785011.3429 2826274.9703 5340179.4654 7736419.1329 4057520.8624 2658273.6163 3325062.6005 6217871.9513 5400328.9614 398192.2135 2683316.8383 16887822.0981 345566.8171 338934.9279 8696285.9813 5957497.4301 3271380.1765 181608.5834 339124.0354 219265.7339 272880.0954 LPC(14:0) LPC 14:0 1230167.2781 2280353.5570 2438949.8144 2007259.5418 2441821.6432 1388418.9190 1703267.8198 2535228.2603 929214.5023 1404837.2322 1464432.2153 1325824.0207 1360581.7626 1325991.9521 1367008.4133 1378962.4124 1370820.6829 1415905.2839 1504964.3591 1395006.2809 1371758.3217 1568323.9068 1335316.4964 1356730.3480 1359239.2688 1497374.2886 1383330.0135 1398948.0365 1377084.7508 530616.9505 540039.5465 501396.9358 524826.3514 332592.1756 420690.4676 484127.1070 504295.8395 705225.1952 765912.8722 754626.0548 766540.0806 1643429.1557 1198456.1558 1655509.4984 1451543.1100 1271644.2500 1446612.5022 1192623.8149 840697.2754 979785.8882 729271.5356 1584372.8824 1128052.4121 930060.2326 1603554.5389 1527856.5301 1000974.4039 1018878.2581 643123.4723 1478400.2473 978575.0986 1615274.0015 1527533.4034 1648969.1321 1674083.1071 1562826.5953 1599415.5835 2167636.4107 768266.6264 1714286.6077 1962353.4310 1976930.1450 1405965.3101 2546036.5313 602179.0456 2978360.3914 2307765.6994 3353705.0359 LPC(15:0)_rp_a LPC 15:0 935553.1845 1194211.9808 1444941.6149 2892108.7499 1301375.0445 1014484.2133 1180000.3420 1152846.7856 939257.2186 1119588.1737 1173097.0513 1119229.3475 1132421.3454 1145592.2091 1149271.7437 1022462.0184 1026876.4522 1110165.0262 1197716.1973 1133965.7994 1082529.2871 1168400.6957 1089597.7563 1003123.6922 1011947.5057 1156029.2797 1133457.1278 1159866.8082 1006053.6470 2514478.5183 2511069.7586 2260130.0805 2304946.8726 1279992.3783 1173148.6468 938570.3930 939379.2369 1185343.9216 1194088.7487 1023304.0780 1023630.4553 1193628.3373 927198.3726 1130167.5904 1118086.8435 1051449.4330 1155207.4694 1688080.8053 797005.7741 950763.6170 718483.5641 1076873.8656 989586.7506 953611.7075 1251985.7262 1104825.4919 1070340.4995 952914.1829 789068.3619 1154735.0992 1100623.5099 1351640.0465 1129793.7590 1080288.1115 1241751.8399 1063194.6437 1404385.3834 1626788.0819 788131.2572 1063046.3032 1197942.7977 1066523.5960 1253994.2973 1249912.9704 629102.1561 2445231.7933 1651368.6171 1701937.6243 LPC(16:0)_a_b LPC 16:0 57745318.9089 67249886.8345 69919680.7200 129121448.0479 59917050.7695 55976750.2533 57482806.5654 58532115.4210 51780536.8043 80468.7851 85721.5964 1554277.4660 1091019.6770 234616.6878 114701.5353 602454.0400 622333.1158 67066496.8970 61129868.8151 60522219.1214 61335434.0302 63422368.7468 63036776.7910 55984261.3335 56414211.2059 55949330.4504 68777196.5773 65389530.6733 63313249.1717 70302385.6365 64399648.9543 58327648.8445 58369020.0915 60831659.4927 61487144.6965 63858837.7953 55791439.5011 53890452.3390 53702956.1651 47063307.9944 46988960.6581 66167908.0313 55409379.0221 43305996.5450 42185318.0396 51001330.4919 49726149.6690 42979504.0258 42752683.7947 74551199.9361 62169073.7926 65585368.4904 60784709.8787 62277660.8655 61623500.2015 81019665.5372 57844733.9289 52791977.4903 52677525.4259 66850653.4030 61967836.6545 62341035.4150 64007322.3726 65465227.7662 58914450.1630 59325538.5143 52100298.2212 60919470.3909 62953707.2432 64399752.3366 65152420.5052 61197341.2590 67200401.6045 64612628.4450 62215027.5976 66866021.4843 61072874.0438 58069733.3232 62544253.0471 65558778.0165 65409182.5165 57746995.5315 39775915.9009 76963019.2123 67197925.5272 60047252.0836 LPC(16:0)_rp_b LPC 16:0 46793886.9702 53922307.6353 51219208.7508 55367948.1368 45154654.7664 46896028.3984 42702601.9703 45319499.9028 40199498.2268 70510.2604 76313.5487 1444337.5850 1005227.8840 199743.8229 100706.3744 552987.4032 546905.0157 35654297.5569 44692591.3527 42570502.0132 42813468.0816 43603463.1095 44108760.3204 43823671.8331 44164905.4026 43872449.2696 55651072.9736 52154405.6899 51605426.0675 53582073.5359 52601567.8576 52219364.7731 52647112.2484 44858917.4882 42493129.5015 44340217.5612 44190134.0956 44724389.4088 44607594.9758 42630253.8538 41754354.0919 57737082.3296 47850832.4679 41492517.0055 41066894.6618 45489992.2925 43339670.0802 42363346.6039 41891598.9557 47462130.7548 44734807.4600 47585298.0044 46597073.0433 47148602.5104 45390365.6067 48125830.0543 44635242.4638 42729503.2009 42389902.0673 45117816.1342 44951747.4055 48160601.0527 49543576.5726 46734165.9182 44954681.8017 45632369.3664 45656210.4357 46515778.5829 45995187.9812 45218895.3899 48763531.5118 45786633.0028 50564902.3732 45712517.4526 54772307.9705 48356814.8711 49397477.1765 45508915.7164 46772105.2496 49749655.4833 49655203.8134 41700587.2094 40695277.0665 48897375.0472 50728502.9545 37090083.0415 LPC(16:1)_rp_a_b LPC 16:1 3855010.7648 7349365.8849 7060781.0841 4693930.1489 4647853.7487 3205308.7983 3791274.9168 5146675.5553 2215043.3142 3320174.6640 3485219.3207 3167078.5344 3182418.9902 3096235.3964 3197715.1525 3290728.5893 3297090.3923 3467484.3694 4760159.6308 4366609.2288 4369920.1574 4967666.0928 4258480.2098 4369507.7172 4371906.9085 3589561.3674 3210767.7237 3295059.6081 3314143.7364 1579782.3977 1633715.9079 1532781.8963 1606442.9891 939908.9107 1135025.4523 1179569.1676 1226853.6395 2654465.9312 2864738.9511 2764313.0415 2830128.8412 3779329.2753 2717246.0659 3569031.2941 2930844.8401 2937169.8663 2646022.9889 2195311.8542 1989643.9471 2176027.2061 1964879.4803 3975363.3109 2884418.7795 2214067.1732 2981283.9873 4081335.6205 1892448.6550 2045659.9832 1866786.4143 2831088.9971 2038548.2331 3014635.4168 4694955.1637 3630231.1193 3694251.5210 3963070.9851 3169244.3459 3289759.3751 1743737.5779 3554822.8440 3652023.1661 5671928.7528 3037792.9200 5839648.2697 1104332.0901 6017019.6671 4291341.7588 6143511.7747 LPC(17:0)_rp_a_b LPC 17:0 3930456.5138 6400443.1532 5926114.7794 7215211.8183 4565633.7387 4676089.9453 5227189.8954 5725129.6044 4639063.7963 14331.5151 5490.0956 35637.6636 87099.7641 31375.0085 26631.9443 38155.7246 43866.9739 5282630.1484 6428463.1356 5774102.0374 5766785.0260 5766192.6975 5569692.5414 5710070.0172 6051460.8233 5813366.6971 5755892.6658 5148090.4426 5157154.1759 6005931.3956 4961213.9127 5035812.1476 5063315.7981 6519398.6348 5771589.5116 5687376.9908 5984104.5014 3567303.9602 3646365.3598 3062088.7867 3109613.0409 3053601.0636 3309002.8698 2689410.9289 2745869.4189 3460001.6162 3617756.2057 3024972.5907 3142793.0178 5249669.5380 4832746.6145 5264234.9561 6886471.1575 6843260.3864 5593663.9005 6123437.9049 4619531.4266 4751459.7717 4159796.4134 7038190.5078 6363802.8187 6009017.9364 8727965.6160 7053517.2919 6761042.5048 6447260.9357 5133558.7224 7238252.3052 5719926.5240 5701146.5373 5555042.0099 5024847.8907 5526147.6496 4828020.7184 6210694.9868 6872628.9712 4800266.2826 4905035.9168 7723770.4998 5211585.8870 6407410.2050 4627339.0260 2044561.8816 7655952.1008 6229783.9977 6244330.7198 LPC(18:1)_rp_b LPC 18:1 37298977.4243 45464045.3829 44470465.9124 38727015.2286 37791332.7677 33571127.3706 33342753.2742 38331816.0942 30933634.8330 12526.1159 14585.2051 265636.1757 127615.3948 38736.8238 19170.3713 78009.3523 66209.1635 35777278.0549 35365792.3306 33786756.9108 34331324.9603 34660648.9059 34424635.3574 36045143.8717 36573489.3245 37960549.7681 43027481.1872 39560977.4378 40854778.8745 48863118.9956 40443819.2542 41371173.3734 41683286.7476 36130285.2102 34753190.6314 34830658.8097 36609232.2913 15397815.1440 15641712.3621 15397059.6458 15562281.2970 15599948.6921 16732107.3362 15878518.1585 16347002.5307 20733997.5849 21626127.2662 20423785.4358 21141471.6233 36084032.3390 35602687.3178 36804898.9240 38806812.2221 34152310.8192 33045960.9103 30829802.2018 24605555.3875 28333528.5888 26420080.8317 36941163.3281 34159705.6903 32475919.8025 37489670.6715 40998149.9074 30061883.6856 31820800.1641 27367656.3237 35126374.3884 31063894.5607 38892351.6928 40819257.3170 37204230.8596 41224329.3069 37188422.4353 34007863.2638 34730573.3516 26302909.0660 33188610.6910 37197716.6030 40742092.1554 36083002.2921 44199033.6307 18940236.4949 40587316.8974 37879525.8560 41082217.2181 LPC(18:2)_rp_a_b LPC 18:2 54525082.9390 67393883.8246 73463801.9844 92345667.5468 55801766.4500 46136910.2909 51565204.7489 55252159.6799 46812340.2237 38930.1744 34185.9917 277715.9127 169808.6966 72771.1423 39934.6053 116231.5457 108077.2475 58170824.5695 56443725.9034 55915421.7226 56018316.0498 57539476.0653 57345720.2705 50164629.9140 50301026.3050 47869796.1845 55243373.3418 53249389.6169 51429891.1569 56399633.6947 52047763.2929 47704370.5360 47316886.6691 56468088.1441 56495218.6359 57880532.6550 49703743.2301 41755114.9422 41807895.3550 35504202.0047 35721563.6241 36221897.7751 31758124.6127 25005278.0985 24386443.3178 34131182.0968 33958824.3237 28609784.0036 28682049.8795 73717920.5443 65719901.8478 67728409.0505 55698539.4107 59756833.4677 56483294.9113 78982071.3279 46547317.0752 44346374.5396 40716513.5357 65969251.8563 59838758.9858 57447695.0656 58527220.8186 67300523.8644 53636197.2860 52807517.6023 42521860.1661 62495932.7221 54217440.9824 62047671.7882 65934535.1599 63281551.9606 66269484.1449 75527968.9476 55455843.9918 63612947.7882 50382337.3259 53714582.8004 64047220.2533 67276267.8122 52598249.0078 60673894.2193 31556047.6928 71754706.6473 60066514.6927 57049455.2042 LPC(18:2)_rp_b LPC 18:2 37100833.5979 42228951.9293 45068383.6627 60686628.3996 37408548.9229 31438789.5596 32228024.4710 34753862.8375 31734995.8436 24676.9411 21837.9839 249287.8760 140796.6756 44658.6168 26454.1111 91386.2445 76608.8818 38121039.7417 35709098.9506 35634802.2077 35876264.6520 37251109.1247 37315802.9780 33042345.6118 33264230.3894 32438720.7477 41000146.7936 39470284.2634 38160879.6798 42461636.2332 39062414.5151 35482076.0021 35347349.5965 35560604.8691 36100776.7231 37737479.9123 32957299.4170 30994202.5987 31029282.3403 27168757.7320 27372207.5270 28837235.0043 25027161.5038 20190662.1100 19707802.3371 27608860.0148 27301721.1847 23567660.2691 23575194.8802 44519543.5114 40743832.9661 40425716.4292 35940969.6421 36075960.7825 34853456.5903 46179296.2632 29383808.7334 29027732.3171 27517844.3257 39574607.8785 36893074.1594 33413950.3335 35223766.1218 41060795.1952 31489582.8871 33037901.7957 25597267.8765 35875383.9414 33770342.5106 39512545.4662 40778155.0913 38002447.2541 43342756.1541 43813811.5344 35938041.2814 39387219.7474 30549085.4317 33739836.0466 37946427.6153 42520043.3965 35723911.3657 38760315.7848 22323326.0087 45736459.9500 38380977.6651 35367625.3872 LPC(20:0)_rp_a LPC 20:0 706325.2181 1596688.8319 1782962.3151 1682753.4374 812335.0176 912974.6644 890390.2076 713564.7659 718492.8465 751678.8412 1594236.5551 1180876.1262 1174866.0073 1091136.9577 1086930.5429 1056204.6047 1101093.3238 1271368.4231 408211.3163 285372.6961 305213.3132 233397.6989 241226.6674 255323.5798 255306.7947 1664852.6569 1210691.0003 1177775.2055 1129638.7312 1501406.4061 1492018.4752 1505023.5129 1439103.8864 1338577.4951 1281037.3224 914014.9733 988285.7090 1127393.4693 1343265.8532 664141.5802 672052.8003 1184457.0819 882780.7587 985206.7976 1077074.4030 1102474.9407 772359.8514 910482.2280 685628.7159 785898.7617 600306.0377 1312981.8849 924425.5738 1006401.3827 1627774.9712 1129958.5819 1028221.3036 882279.5004 919753.6168 1214848.1424 684331.6493 868369.4334 1168654.2617 842382.1693 970952.4480 1487197.6592 1038911.9857 960714.9283 1012653.7369 626027.7003 988401.7706 1212725.9677 997112.6408 1506570.2798 489241.0753 1323315.6419 1138770.7765 1863228.9327 LPC(20:3)_rp_a_b LPC 20:3 30246543.6441 32249881.2923 34037428.2371 31747734.9364 22276000.6050 20178267.5738 20723758.0456 18792679.1831 23545729.2748 43091.9002 30800.0781 274197.2339 189697.4295 90771.2359 29531.8606 120635.6312 129228.6618 16095334.6559 26443715.0942 24256371.5598 23726759.3526 23300053.5807 23858531.6172 27457803.5976 27079700.0236 32367596.0092 28552490.1612 25168031.6738 26626707.2403 30098598.4147 26796931.9479 29064153.5251 28755567.4595 27090236.4950 24244373.4256 24659967.0730 27795558.1078 13149210.4108 13321124.3244 15956394.0470 16110874.5869 20502040.1573 21737278 25335124.5492 26131123.0316 18716043.9262 19444486.3294 22569196.3294 23347280.7127 27676400.8160 26543424.7550 23219221.6451 25592727.1092 24456785.5739 21237841.5528 21935409.6687 19290342.2288 21669885.7284 18533977.5489 31632599.2044 24250782.6803 27151949.2133 29982102.4607 25097046.8352 23091056.8314 22083976.6460 23538126.3398 23754695.7723 19842998.5990 25914802.3061 28412882.2722 24423018.3085 30397864.1181 28799161.4557 23292350.6539 21478235.6814 21694137.3684 19884968.0488 22170885.6209 26986143.8432 26022919.3027 34191091.8337 19342032.7453 23091026.7936 21901646.5960 29435194.9369 LPC(20:3)_rp_b LPC 20:3 18721930.8946 20291121.5223 21499748.5177 19179516.1326 14838200.7014 13471530.4549 14218329.7563 12249779.9398 15889083.9389 18178.6223 21119.7946 231774.9947 152257.4088 90771.2359 28538.2102 120534.1079 129228.6618 11828036.8067 17539159.2910 16502976.2010 16462176.6122 15826686.4879 16240510.2976 2984663.6644 2940318.2095 16475622.7825 18237414.4415 16577180.3358 17680795.3271 20072439.5866 17061546.2258 18822398.5955 19036410.6990 16651202.3917 16208203.9551 16977301.4961 2814305.8898 10318538.0289 10461848.8116 11592461.7336 11979239.9980 17026451.9615 18462637.0027 20965950.4922 21465318.1857 16080023.9622 16544635.6570 19105124.0936 19640347.3636 18588135.1766 17344920.9228 15340684.5267 16254205.1952 15756326.8104 14162571.0561 14859974.7639 13834077.0671 14762623.0662 13081698.6696 19970913.7962 16014669.1791 18296214.4212 18725248.0060 15785054.4768 15586897.5822 14732147.3066 16879664.3462 15918599.7748 13453802.1210 16697775.1115 18376936.7216 16055375.1050 19213958.5344 18766908.0610 15492427.6886 14071864.9802 15795603.7306 13460538.1851 14148326.0453 17474533.7387 16190750.6035 20654819.4624 14791950.0732 14703663.0867 14254691.7291 18114479.5422 LPC(20:4)_rp_a_b LPC 20:4 38542914.0904 42306496.1192 41566381.6085 44241171.8445 32336860.1886 36611332.8791 37601270.5282 38743449.6231 39982205.1149 32910.1784 27092.2939 96473.7133 52844.7721 69209.6906 29283.4148 42617.1986 41862.5473 46637370.5879 39329578.7908 39071954.8858 39263287.3684 38819357.0839 38542093.0505 38970441.1454 39350154.7878 36682554.7239 39471432.2481 38882240.3109 39566039.5994 46132181.9537 38366343.0412 39720002.5228 39474767.8507 40602788.7788 39812461.8437 38986201.3587 39128599.9198 17607362.5813 17892678.7793 16951759.4870 17306380.8477 23770125.8305 26759358.6015 27014009.7650 27746120.3529 28992143.6966 30445143.5566 29658543.0430 30667536.8616 38491573.9298 37544345.3634 37729459.7831 41283678.0637 40798923.4401 38742199.7907 41588334.2499 37238765.5693 36209347.2193 37321327.5359 41669285.4666 40407693.7079 49045382.3250 44829341.4726 42857280.0393 42974737.0260 42865673.5726 45451212.5877 43061609.6581 41737235.0573 39319150.9706 40593800.1707 37763864.5292 36645455.6116 37692968.9676 35783984.3536 35938983.0758 37968386.8454 35354693.6853 37408915.8839 32487031.8623 40650426.6085 36057224.1070 20509377.4440 36134315.0194 36132411.2981 36861215.1284 LPC(20:4)_rp_b LPC 20:4 18302926.1163 18521875.7396 20195667.0540 40751600.2257 13241917.8533 17414331.4416 16527706.7725 15613342.4841 18825818.8588 14391.5004 11388.8449 68483.9190 37403.2465 30055.2647 12689.1562 25446.1490 26145.3670 19007500.9209 18703262.1771 18599859.3592 19220804.8689 19408948.6838 19257481.9701 17121497.5775 17238894.9211 16745849.6428 24697690.9578 23379274.3614 23069172.1732 25214573.8948 23243465.3520 21037627.9435 21103958.6999 18701042.8916 18861099.2774 19452157.3842 17032947.5099 20466789.9462 20375962.4976 17586570.1129 17695972.3821 22090540.0818 19210587.7190 15623562.1990 15235386.9592 16341185.2729 16275889.3406 13938509.2111 14013837.0736 21052659.6816 18498341.5511 17333194.7976 18631805.8813 19453486.4476 16519008.1700 23536161.1105 17607150.9289 15193435.0840 18730710.0777 20650633.2038 20527460.3410 21758028.5448 21139497.9809 21849849.3896 18568424.4470 19713052.2032 18618987.9281 19021515.1981 20967994.0149 20046268.2037 21033750.2279 17039171.2479 19696240.7932 19182243.4785 16365610.4709 16149561.1472 17408927.6578 15650830.5797 15266515.7714 15288231.8962 21292073.8167 14435464.5651 9675306.7343 19258135.0942 17105390.8635 14263404.6140 LPE(18:0)_rp_b LPE 18:0 1358438.4799 2117545.9183 1527204.2292 941141.7447 2142310.9341 1723841.0564 1589445.8393 2000091.1250 1764857.4012 10949.3666 10449.5846 25301.3139 21520.5289 68333.3672 24993.8506 14127.8446 15169.1442 1946991.7202 1803490.5955 1671402.6574 1824789.6152 1699963.6598 1637619.6905 1462384.9519 1494562.1594 1585899.4058 489881.0598 465561.5410 455004.7138 450810.9461 448243.7558 420198.1710 404277.3605 1915723.4104 1849286.0924 1761213.8238 1524436.4822 1006615.0441 987800.0997 862347.1251 845142.1521 843843.8220 897887.8306 832226.3478 887378.6047 989971.6741 1032144.3450 895958.8903 937038.1733 1802473.3145 1839158.1696 1859851.2012 1672140.9341 1734267.2180 2049331.6672 2259301.1450 1631908.4739 1986772.9450 1553368.6844 1773727.9424 1678884.7379 1946030.7771 1535042.0582 1696291.0342 2102931.3247 1878339.7463 2204100.7263 2289547.6091 1572201.6152 1547126.1554 1827524.0939 1877680.4417 1631541.3302 1971588.0905 1752521.4338 1525343.9816 2353753.5662 2148141.4068 2292460.6341 2129512.7820 1389958.0974 1865463.1520 1858149.7795 1642485.5936 1586912.7682 1762445.9006 LPE(18:2)_rp_b LPE 18:2 1466926.7286 1767801.6328 1594644.5240 541689.8847 1698109.4699 1303301.5467 1231848.8301 1739446.2346 1483454.9377 4694.0728 5217.4401 16462.3397 10176.1349 9123.7526 4720.5969 8060.7914 9205.1256 1238434.1877 1168004.0900 1151289.0924 1218098.6504 1208016.4121 1218367.2739 1188278.6083 1216598.8044 1362610.2893 423077.4781 414789.4009 412368.5500 408392.8996 421950.4799 420801.0798 417557.7861 1214815.7910 1273764.8093 1297496.9823 1262427.7338 247294.6186 251446.2273 289095.1507 275308.3541 152560.1236 161041.2795 207811.4587 229399.1241 199330.3175 206340.3505 242724.8861 260163.0111 1514225.4059 1558580.2904 1452056.2884 1229069.3550 1149064.6580 1454690.8598 1465348.8292 714963.6810 1218930.6238 871551.1160 1422828.8203 1187104.3770 1213252.9173 1010150.9444 1530631.2762 1300779.3563 1140201.6023 1046572.9872 1386352.6078 1072688.1558 1414838.2781 1628406.3435 1517348.9700 1775151.6528 1553985.7347 1363259.1934 1134369.6354 1056340.4127 1519073.4409 1715297.2674 1841561.9072 1137119.5053 1618085.4356 928611.3945 1288380.1398 1124325.1665 1123150.6289 lysine Lysine 7996.5921 6393.5670 7094.6425 11172.7751 5378.9974 5140.1997 4496.0811 4886.4997 7516.0404 6613.3709 5143.8230 5445.4369 4890.6912 6705.4606 6243.3616 6945.0319 7295.5334 6312.6001 1662.9477 1477.3001 1701.9396 1626.9413 1840.7669 1767.6764 2305.1425 6293.1545 6868.9998 5926.2785 6249.1143 8029.9761 7348.4177 6821.5944 7599.4551 4681.8032 5549.4529 5476.9372 4887.3260 4949.8178 5250.8286 5493.7261 5062.1966 7678.9667 8024.3199 6265.7419 9415.9254 9581.5832 5030.4997 5064.5123 6020.4309 4512.3274 4545.8520 8143.2822 7168.7516 8275.9631 6331.7656 9590.3483 6593.4689 4921.7016 4777.7156 5252.3687 4508.5027 7416.4826 6859.0648 5423.1716 9292.2955 6475.1523 5284.4385 5221.3084 5356.7172 4388.7817 3943.8401 8666.4660 8842.8633 9542.4509 6219.8320 5872.8769 5321.3670 5949.2755 MG(14:0)_rp_a MG 14:0 195573.0761 220071.9933 260614.5091 248048.9651 360092.9030 178017.3133 183053.8993 169145.4595 169653.6981 166276.0824 211658.9034 211214.9060 195645.0502 207156.0904 194439.2646 189653.4370 184649.6704 205266.7306 644657.7471 607606.2000 589989.1933 609755.2187 580780.2321 617567.0298 606599.4720 210974.8487 199898.7859 198745.6511 188768.1734 413892.3682 428260.4284 421117.7460 421707.3552 281525.7978 270222.4998 223191.9607 268249.8639 199318.5161 212076.2090 210984.9229 200930.1116 218100.8481 276587.9922 280405.8261 263723.9065 202432.5736 132366.3783 321723.6627 125823.4339 189861.0412 182849.2872 215775.8716 147824.5217 149161.7961 151854.5740 233460.6151 184986.9209 127687.3510 187465.2867 156488.8257 152114.0224 282878.8917 376439.3031 269365.9683 308433.0926 279589.7755 189432.4035 170227.6042 144739.7627 130674.4447 183866.7334 225030.0237 172457.7779 407358.1742 246485.2491 337317.4932 283750.1097 140922.9662 MG(16:0) MG 16:0 1776040.3339 1906702.9267 2580502.5841 3319076.5556 3327550.7226 1787579.8832 1846360.5613 1297623.2313 1592413.5246 934532.3271 941717.0809 582706.6082 541746.4039 782453.4052 811460.1986 607538.5769 662548.5937 2161085.3868 2775274.2547 2410997.1277 2334730.7446 2529928.1997 2347753.8855 2341529.1772 2422184.4787 2937364.8645 7711459.1458 6346555.0697 6577498.5931 7090334.6078 6572604.6320 6337510.5585 6297879.2025 2759590.1175 2301949.8264 2438975.5960 2506142.4124 4937895.6234 4962808.3136 4730640.9918 4727252.4868 7920397.4281 6746706.2016 5213263.1117 5334500.1509 3386533.7846 3529082.0928 3241399.9577 3264571.2368 2425931.8315 2682631.4166 2488612.7041 3159467.8823 1690523.9179 1441338.3858 5820181.3351 1956762.7365 2444294.2773 2411079.6682 1809162.2982 1266215.4387 1529226.3464 1394656.4073 1674518.8592 2267108.5587 1630485.6409 3288464.9720 2597497.9470 1370613.3296 2445204.0229 2316308.7996 2254837.7427 2018608.4565 3061212.3065 2285586.8597 2249631.3963 1947298.0580 1050722.5295 2514360.1536 1999382.7164 1562986.3515 3879698.9219 2688163.9680 5372536.8718 2886156.8724 2552376.0801 MG(18:1)_rp_a_b MG 18:1 1117518.5657 820284.6867 1510657.7997 4658273.3400 1905438.7474 1074739.0113 840750.4567 587410.8405 741636.3346 53043.7244 44029.1977 52702.7516 44054.8408 64993.1296 51213.2795 46648.7392 48055.5295 1441694.4170 1761128.7010 1565456.8485 1524454.5505 1540007.9220 1452466.3338 1594735.2110 1576968.7279 1935904.2168 7678741.7732 6137133.1725 6667471.7557 7371441.6462 6060544.1908 5984882.8800 5900613.7994 1795668.2799 1531579.6482 1502226.9813 1645330.9073 1969605.9617 1989513.6528 2132400.6647 2171982.8180 3355276.8614 3567986.8984 3895394.7686 3995541.6229 3483855.2022 3800143.9909 3628040.0091 3811101.3534 1626913.5296 2087604.4066 2385198.6149 1310122.5202 1694802.9932 685469.2129 2526364.4300 396135.5537 731947.2419 657503.7901 1740681.8384 967517.3779 1115411.2154 1015738.1865 1920143.1754 831418.4482 552569.2745 1023553.2224 682818.7856 686997.7728 2174735.2882 2981100.5761 1643610.8957 2476371.7890 2030662.4168 756271.9922 1476546.8199 556549.9366 484068.3170 575598.7667 1438667.8235 639377.1792 3434995.1042 1481460.6703 3324941.7341 4430580.4860 4925512.7977 MG(18:1)_rp_b MG 18:1 845929.7036 624746.8017 1219112.6197 3412537.4440 1492965.5559 854253.4053 605751.6475 439738.2323 555211.3846 33140.8563 35042.3643 26603.0139 19727.8870 36866.3031 31986.4483 22693.7290 18910.2160 964168.9678 1364273.6267 1196425.6994 1188089.4400 1171585.6102 1117003.8013 1207768.1532 1178466.9347 1479539.5254 7466802.9179 5967662.8232 6476132.0123 7142213.9873 5866174.0793 5748590.9373 5671555.6444 1378967.4338 1194170.6414 1149161.5445 1225558.6144 1609057.4564 1628969.4351 1735183.2292 1768356.3652 2565780.8287 2721671.9016 3056887.4646 3122276.1220 2538610.5013 2785082.0184 2597176.5666 2737897.9967 1065477.8802 1456215.8150 1682392.9664 992563.8541 1187340.1529 459994.5736 1547658.9470 255760.6599 524262.0057 464204.6319 1136605.8976 657596.0938 694393.2741 666680.3479 1307152.3292 576845.0374 358941.3833 776948.7748 483471.3539 473287.7418 1663278.5424 2137955.9169 1160928.9033 1863829.2435 1371800.2235 574569.9854 1083770.9390 374699.5191 324238.9859 362559.3580 1045007.6944 510079.4046 2918514.5816 960370.8758 2725235.0479 3556388.1639 3763201.1754 monoethylhexyl phthalate Monoethylhexyl phthalic acid 2277524.8454 901829.1776 533404.8835 739664.8878 768433.7044 566989.9596 953979.1157 1403805.8704 929574.9653 1314927.8950 1341896.9500 658507.5614 886217.5872 451613.2455 329865.3066 415357.7179 445871.1441 905282.7711 961385.7500 905276.3775 888344.8641 934357.7343 918792.0758 912852.2205 922960.3589 868706.7196 462243.5272 404636.8966 396504.1131 441029.2514 396806.4958 398022.7914 399525.6674 983836.9085 900477.3200 912346.5341 919972.1862 719805.3600 767149.5807 752604.7470 750475.2251 895270.1062 878591.6652 900017.5762 901092.4884 594046.4668 609781.1169 633753.3613 630250.3897 578787.6797 1033384.8124 707299.0348 516956.2524 578033.0578 838984.3533 549346.7733 900371.2191 879984.8144 495030.2989 1075286.1499 757161.5405 921473.5977 840320.8967 1384653.1566 488756.1854 689856.4088 869981.2154 1286752.7050 508379.1531 2347449.6431 492646.5201 648921.0439 1271461.8758 1704874.7572 833221.7157 715739.8447 738574.3106 596110.0604 1338448.9068 749909.1433 766331.9513 1326722.7761 542376.9676 785430.3268 482682.0893 1693424.8802 niacinamide Niacinamide 5850053.9337 5972998.1337 7709041.9192 12089978.8090 7310998.1657 5672037.0694 4917912.4761 5121166.6918 4608495.4870 6054875.0660 6511692.8503 6477854.7691 6270792.3735 6489243.7065 6466713.3636 6572811.1779 6620345.5186 6217717.1836 13489147.1860 13302584.3898 13267677.8408 13648784.6287 13953519.3001 14216624.3591 13905044.8862 6458311.7940 6356841.0788 6501195.2371 6479506.5384 1973268.4852 1931630.6798 1880692.0666 1843786.1344 840620.4309 827216.0887 829219.8388 804001.7080 1767663.0906 1720678.8060 1668628.0087 1642948.7734 6348684.1487 5755044.9253 8187869.3362 6121854.2262 6414668.7960 7762921.1154 7453373.7819 4096042.8501 4951170.7905 3691510.5552 6437169.8156 5633147.0594 6287953.8674 6510825.9433 7991558.1975 4288450.8920 6128590.4723 2874481.4466 6865213.6760 5867727.0563 8750671.3875 15346639.4387 8266072.1280 10298095.1650 8804759.4000 4854159.9542 5235433.7040 4080048.9292 4252563.4023 9673574.3899 6084232.4287 11733867.5950 5900146.7183 2211442.4418 11469822.4746 3757826.8693 3733950.2649 N-undecanoylglycine NA-Gly 11:0 694893.7266 464570.4666 770187.1241 152925.4314 160139.9100 330126.4222 493385.3105 404568.0824 383036.4800 54647.1407 65060.5360 5782.4354 22185.1108 827082.4198 780978.5888 785335.9694 776691.5239 767258.1087 761505.5957 776813.7195 776489.6087 802442.4141 752522.0403 770790.4226 764091.7432 799332.4630 745014.4221 756201.1681 758660.1104 811900.4895 795360.0976 769316.3762 784762.5780 73640.7152 72472.9220 67025.8038 66863.3814 18676.2502 108282.5275 147680.3328 155589.2363 151864.0403 162377.5205 154849.9522 148272.7919 110625.3530 253354.8893 288613.2895 179722.7767 106389.3147 112103.4904 107932.8438 275546.9817 137114.8564 178602.2005 534565.2998 159263.0854 213448.2201 119497.1595 297260.1406 147650.1648 178379.5034 129280.7269 897782.2471 129851.8500 2060987.2395 148184.1745 423085.1977 328957.3604 217485.3724 289652.5172 591703.9377 343849.8669 962308.1514 240170.7951 276144.5334 198027.9571 1075563.2174 657490.9927 547909.4615 211390.1384 188002.8373 oleamide Oleamide 61839.4372 126834.2601 297517.1391 50282.6172 140256.8511 83939.4689 59572.8428 58244.7120 85204.3401 223747.2171 398067.8226 386554.0383 347776.0584 339564.1187 313449.7094 322934.5247 326985.4525 398026.7540 140478.2679 107108.4713 119479.2635 27447.0219 17955.0085 116956.1914 121213.9309 437714.8514 340477.9134 325661.7709 348285.2980 272606.7405 288084.5201 251411.5462 251749.7991 164633.0431 175186.3828 151542.3088 151190.7814 89079.4779 100061.5815 102613.7925 104405.8301 57892.1731 89510.1403 63292.8361 182813.7550 52942.4838 63890.3258 179150.0218 181712.6200 113429.5894 188720.0057 31511.6087 44426.3116 47730.3216 58963.9910 65924.2632 81883.5805 32480.8623 195522.6681 43585.5540 72227.6223 196689.0216 128538.6104 73665.8889 359494.1828 126474.5014 78004.7090 67851.4072 150372.3727 135183.5716 106756.4601 129361.2152 351568.1602 118307.1284 102016.2868 193720.7764 102354.4453 53519.8590 pantothenate Pantothenic acid 8381857.2721 10180756.5955 8231587.2697 4476974.4401 8023256.8817 7061426.4182 7211003.6995 9234944.4849 7653206.4353 6670696.9592 6331151.9726 6782798.6835 6925425.1505 6622369.0828 6725502.3403 6725377.8981 6705314.3704 6647428.8471 7404080.1883 8153446.8389 7982618.1589 9569049.5972 7954448.4223 7950984.0243 7973807.4689 6538416.1113 7023901.5643 6782218.0906 6734907.2201 1450549.8232 1440023.7323 1334475.2490 1351458.8196 934886.1397 936042.9889 771959.8986 775325.9083 1144769.2230 1145088.3998 995568.6143 995510.4713 6677684.8934 4690165.7541 5935572.2662 7436056.8819 6155942.0860 8274815.4487 7797331.5308 5200065.9868 5548050.5148 5287304.0629 8512347.7075 7332775.2306 9324975.1721 8018681.4663 9061838.8649 10451115.7105 6145334.3496 6034377.9818 8791919.4816 7691837.1187 5720719.0170 9169436.8337 5426062.2299 6656430.6863 7388130.0331 6417667.1964 6089541.6688 5185675.9012 6709919.8172 9819740.1455 7350767.9170 10901400.5586 6045347.8017 2439475.9901 7298500.8920 4118551.4490 4225976.9141 PC(28:0) PC 28:0 2096019.8062 7204486.5444 6949900.3092 4517209.8449 4838024.7912 5892736.6974 3987040.3560 5100713.1988 3556102.0214 3740816.8538 3949331.6114 5047017.7573 4843578.4456 6471249.1309 4387812.9418 2709624.5185 1283173.0376 3157161.7589 7536813.1319 7799668.5316 7554044.1617 5779018.7879 5741052.7860 4961473.0947 6239774.7814 4155705.1322 6162778.5892 5075353.5060 2960719.8017 3191552.1294 4198142.8653 1731070.4401 3771329.7687 2537636.6838 3376564.5241 1921286.7818 2500232.4570 4354808.0922 4583042.5713 2980897.6846 2621389.1638 4153616.8266 3779859.6430 5863012.2429 5857149.4195 5525050.5780 4078831.1490 5999292.8529 5427640.2441 4918333.7493 3986377.5248 4155014.4305 2847264.9408 6311220.1296 3898767.7257 5143600.8438 3731778.3700 3306572.7675 5411373.9442 4016981.1267 3691393.6716 4020632.9760 3952065.6788 4239475.2006 4604647.3263 4503818.1132 6355779.4847 4549402.8275 5242054.2309 4882121.4162 3219562.4585 4191744.7284 4682832.2313 3588066.0420 1702565.3750 6836098.0300 3931207.4523 4022918.1980 PC(30:0) PC 30:0 797427.0580 1044941.1718 1129362.9044 916374.2866 1130697.5145 1700443.2487 1340838.5864 1224917.3008 1231070.8308 1558209.1585 1406231.7013 1332623.3907 1369145.8023 1323209.3605 1242949.1280 1115422.8038 1140006.5219 1221668.4468 368262.5778 310268.2758 316512.0682 306763.6329 304937.7316 282948.4172 276260.0582 1463158.8500 1411687.6887 1315446.6988 1177420.6565 3963797.0728 3940345.8631 2518647.9936 2533712.0839 3839839.3744 3506055.4462 2066827.9696 2217078.0499 3319393.2785 3326937.5164 1981026.1183 2080494.2975 1085547.2136 1103524.8042 1148507.6558 1365663.9372 1264585.4147 1179500.7535 1231517.4065 1767447.4345 1899099.6535 1649107.2491 1078840.5488 1039207.8802 1362909.2046 1404628.7403 1080992.3114 1245992.5646 1569060.0680 1576800.4388 1062127.9064 1373566.0741 950698.8132 904917.8448 1102252.8757 885296.8427 941647.8232 1542779.8281 1285066.6436 2019207.9330 1327361.9947 1083311.0888 978529.9842 1020837.4741 1053420.7237 1161839.7436 1260662.5421 1828323.1479 1935964.6641 PC(32:0) PC 32:0 14587053.6293 14361871.8065 14158394.1103 17434195.9287 10807911.8640 14601388.8209 12110772.9997 13757471.2851 12233072.0295 16073530.3346 14529376.8785 13669612.0409 14995874.5807 14923868.7412 15715387.5461 14441471.3651 14438387.8879 15393400.5955 4052234.9395 3794327.2900 3863663.0724 3855882.8541 4126099.2676 4161029.6902 3919827.1266 15655193.9881 14902225.2685 16427415.0411 14774525.4297 21624088.8013 20486370.5906 21309543.3628 20192154.6312 17836761.2544 18311233.5018 17768789.6709 18058352.3164 19058609.5863 20202779.0629 19210991.6011 19745995.1113 18533771.5864 15393307.6797 14601310.7699 15303642.8874 16113110.3251 15444804.2025 12085846.6670 13359866.2828 16813271.5107 11689378.5011 18845729.1090 13106306.5015 16920376.6718 19004250.1287 16220995.6687 15133100.0476 15049707.8708 12468472.3235 12117938.2274 14078828.3760 13371118.1036 15000033.3345 13755121.1963 16135847.5859 12915081.9479 13258299.0064 11767918.4246 16407538.3113 14923078.7340 16701536.7110 11145369.0381 13095744.6787 15347308.0859 21162749.4230 13914366.1174 13616489.9514 17215295.5930 PC(32:1) PC 32:1 14352609.2726 23545845.1062 21225674.5776 26502076.2984 17042817.5820 16927332.3616 19432571.3677 15493552.2572 10182446.7899 13306667.0898 12818393.1230 12091858.0011 12687139.3748 12389122.7116 11865847.8720 10537596.4828 10864557.5051 11870211.0879 5765591.1736 5318537.3240 5214329.4421 5142084.1053 5101616.2680 4855952.0623 4796288.6333 13615500.5051 13106838.1925 12517472.4376 11208736.5449 26133036.7525 24891630.1764 23271597.7082 21879062.6630 15500998.5120 14201474.5778 10997469.9889 12616798.2252 21242632.1428 19864004.8531 17704544.3460 18535210.5067 14843658.0222 10062540.9796 13998235.3747 11550258.3188 12263512.6974 11648701.8187 7915004.4228 10415387.9845 11179065.4836 10204543.7336 17279338.0965 11072394.5276 10248454.7656 13363758.4455 13849806.1608 8018285.4103 7670551.9331 9253596.0492 8439664.5467 7198645.4352 9868942.2743 15940294.5506 14071188.3952 11453266.0519 12399456.4325 12659407.7429 11212980.2789 10458438.9040 15225109.5112 12075436.6600 16887721.6411 10650981.6314 15376543.6691 10445213.1148 15759826.3330 16423172.3506 16126389.9837 PC(32:2) PC 32:2 7844387 13690907.5210 11799375.4409 10951199.6837 14624882.2474 13454445.6730 15887321.2564 13746267.0266 8099844.2153 9851351.0404 13205268.3029 10898981.2790 11351242.1846 11113577.2939 10695080.1872 9816451.7828 10381028.2067 11390059.0174 4526323.2459 3594460.4207 3566790.1453 3470779.6342 3385206.8051 3408167.3213 3375174.0714 13752785.6268 11650413.2162 11396721.3410 10785647.5806 6110611.1399 6771521.4601 5669102.3594 5765812.9595 2021544.2061 1467156.0750 1213757.5000 1351317.3296 2627980.2151 2709725.5314 1843213.2284 1913055.0610 10365237.9065 9380651.5786 13706167.6678 11719513.9954 11023790.4894 14236139.9024 10544117.7386 10103243.5515 10596433.3698 8021968.3860 12293555.3301 8903549.7667 8504073.5114 12956137.6897 10587087.7050 9614612.4356 8752927.8807 6658847.3953 12156028.1215 8930675.6281 11330269.3660 10205835.3419 12412981.4818 10548504.2879 10499250.5373 12671203.9788 17084064.5094 11511833.8972 13284562.9159 15484069.6320 12219310.9811 8890949.6546 13209723.4572 7445205.0663 18884986.8143 17266024.3122 18446006.3410 PC(33:2) PC 33:2 422357.0595 621163.0476 608368.1476 775937.5469 723667.5899 1062132.7488 825265.8261 967719.3778 745858.7439 732448.1683 800275.5893 869604.2436 843046.1325 851974.5894 790400.0242 716734.2162 727753.2960 777598.5809 1148271.6226 1102191.2106 1069357.5229 1037388.7843 1010242.2177 923327.1089 1265075.7924 923101.0919 852766.0104 806510.8449 741710.8358 1245466.5911 1274430.4159 1072798.6890 1108657.9126 741710.1624 723065.9216 530143.7421 566184.4204 737088.4947 693299.2940 551000.6325 631875.6754 460067.5653 586914.2573 808791.0044 899624.0974 793396.8515 963328.7487 1135727.9492 1257140.6854 1013345.4568 940698.4002 515350.5189 670611.3785 715840.8776 710778.6858 546543.8227 756522.3974 1163065.8022 768961.1392 953519.6119 943636.8917 697400.3162 551967.1853 710178.9107 624937.4121 648958.0189 1194891.4675 1559092.6229 1384204.7162 969366.8889 912655.0151 801805.8389 717108.5081 617534.1046 612275.5432 1869851.6211 1304135.6428 1105300.2083 PC(34:1) PC 34:1 61832472.7406 80650578.0398 65350128.5037 38709951.2371 54993406.1084 66848643.8798 55422185.2240 68303648.9795 58847078.3433 70203.3811 68236.7678 512622.4003 241328.1634 564538.2260 173561.6064 235486.1850 183326.4460 45586535.1425 56064197.2020 53051599.6161 51888190.7251 53598920.3164 50758727.6172 47401834.3671 49384328.1326 51974622.9359 84760134.9182 85650169.5067 81575414.6097 80024119.0274 81426088.8754 79392534.4280 109851506.0843 56669038.1289 51792304.8311 51650851.1472 49043162.2296 34353557.6493 35402229.8986 31510134.2880 32075147.3636 28619936.7029 28552715.2911 23287915.8456 24127523.7634 31263817.0604 32349429.3436 27706876.8110 29340174.3768 58623611.9289 57198643.5855 67387591.8831 64105466.7628 58988770.1422 55522757.7980 58981547.2090 57636892.0564 53903412.5784 55335445.5708 55338216.7106 57138354.2851 68136491.2881 61008823.0987 60262895.7953 51000825.5280 60682196.0768 48915738.9456 54894347.4531 53329894.5259 61119535.0300 66555444.7273 59362169.7964 67690386.4050 61442139.3458 53338004.8715 51806916.7369 61952234.5582 53264128.9767 64535264.7703 69409440.6787 65156973.5773 50528272.4547 42736959.8567 57708704.1246 46069217.0249 36871252.2649 PC(34:2) PC 34:2 42000628.2074 38151106.9979 34176501.4280 41649248.1818 31887357.0893 33145804.4729 31742552.5436 37644194.2767 33219778.5286 149234.3432 125095.0950 1368347.7460 666707.5026 1241816.4580 423493.7617 481107.8148 481482.9046 21051770.4832 26585960.9653 28983176.6296 32508743.5695 31881089.1127 31061940.3312 28946273.2462 28989720.2156 27246718.3266 10825701.2356 11663836.3310 13288632.6939 13095663.8641 13511311.6217 13063857.0072 12885542.0739 26604935.9684 32103404.3582 29542104.7331 29772840.8161 34520036.6612 35513906.7497 43763105.3449 41390865.5412 24314133.1418 26489951.6007 35070048.2063 36424716.5969 26144330.5644 28487154.5466 34486708.0730 36230125.7100 47598752.7870 41086709.4554 44697726.9724 44214940.1223 36436176.1452 33326376.3516 29912996.5386 38597804.5455 35034406.0444 40175700.2430 41835153.8148 41998819.0401 43576446.6338 35240147.7905 49379414.8519 31653393.6741 47389504.7141 40638621.8023 30051799.2413 42104555.3373 37183497.4420 39416122.2437 36239936.5360 50413614.1642 38248062.7047 33245031.8580 37577010.1527 37123234.9936 33965616.0475 32843620.0253 47156185.2962 39577186.6309 32799024.2414 46060773.5909 30837483.2743 34699280.3409 28917674.0180 PC(34:3) PC 34:3 1690179.7952 2932428.6120 3284508.0110 1510366.2659 2796883.3668 2713351.6282 2757377.9287 2635393.5700 1569431.8324 1607324.8499 2197121.0130 2110544.5383 2163937.0852 1879295.3770 1650943.1894 1432846.8774 1415532.0968 1838652.5993 3193453.5425 3437791.5355 3345030.7064 2985447.9954 2254434.2302 2270524.5195 3344404.0862 2171889.5188 2055035.7387 1721996.1029 1611609.2800 1267054.6448 1321717.3880 985220.4982 1018654.8874 896004.2559 858078.7251 652052.1076 677036.4399 1241709.8202 1303515.9502 968664.3099 1015807.6050 1534641.1175 2081545.9510 2959477.2960 2496097.4532 2331762.7259 2533123.3133 2379368.1273 2822828.0742 1733798.2702 1862672.9991 1775744.5916 2093324.2950 1911713.3754 2159761.5275 1757473.3003 1579355.8935 1690253.9076 1547802.4689 1999132.5465 1537819.2868 2513116.2445 2061665.7630 3028537.6699 2455025.7559 2551809.0559 3277297.6249 3805183.0404 2742927.0251 2790972.1723 2113538.9821 3501994.1965 2563546.6243 2482919.8792 1373380.3773 3872657.8975 3040641.4048 1913986.6601 PC(34:4) PC 34:4 3170189.1380 4981291.5025 4217505.9330 7593821.5953 3614656.1398 4326208.5872 4118716.2749 4249574.4613 2735386.4389 3526238.1797 4966887.4562 3937734.9802 4085006.3953 3991779.3089 3843240.4088 3579327.8570 3755993.6183 4170666.6807 1643541.3339 1192629.7708 1176461.9981 1154706.8589 1106531.8656 1130710.8192 1136817.0697 5107277.8441 4188531.0420 4039210.9967 3846762.0226 2144388.1886 2402239.1175 1769826.2508 1703227.9303 1210915.0007 904073.8153 732548.3572 771766.8205 1959512.5757 2217072.0271 1300686.1747 1340901.6253 3827742.6447 3332219.5517 4856530.1367 4898530.6846 4549196.7877 3959180.9475 3349851.6870 4363370.0425 3348122.1282 3537836.1762 4371624.9429 3967858.4525 3972019.3486 5211649.6857 4040926.3515 3351637.0110 4332342.7824 2692623.6712 4218434.9670 3216686.9508 4107043.7239 4157239.1824 3963594.5675 4076727.7162 3755864.7251 3096515.9236 3718362.3488 4192308.6106 3378886.2024 4112283.9976 3881214.2359 3881801.6779 4061762.7335 2088735.5709 5111193.3728 3867929.7795 4343117.9673 PC(35:2) PC 35:2 4533778.8649 5469215.7914 5669726.9147 3262446.0857 5183575.1419 6211579.0726 6362826.3734 6922196.2504 7137327.6024 6630596.1439 6604041.4022 6030207.5645 6533458.3957 6446280.8490 6844488.9698 6055920.9703 6021796.3205 6425015.1925 1476336.4546 1348941.7348 1350400.4780 1322167.0062 1465395.5449 1466474.5453 1386817.0386 7051500.2468 6555387.1104 7105278.7972 6227267.5776 5266291.7597 4954456.6896 4862642.6192 4575194.6608 3718837.2817 3730523.7357 3250024.3247 3481590.4062 3258772.6230 3526149.9299 3207537.1069 3210362.6833 6627500.8913 7242458.9204 6669837.9235 6936662.1342 6395950.9557 7711196.1712 8035176.9352 6887969.8075 8827024.6027 6036023.8477 6208460.8474 5732527.1550 6720662.5510 6816189.5687 6151082.7751 8470585.7226 8732086.3323 6345804.8364 8379596.2340 7922811.5757 5963556.2468 5714011.5655 6395850.4197 7326628.8069 6063975.8849 8468239.3399 8701601.5434 9663271.0351 6185070.3809 8914944.5923 6433797.6713 5154074.5675 6629953.2234 6450999.5835 7401686.4797 7137913.6372 8926378.9360 PC(35:3) PC 35:3 1007362.6679 1367950.0422 1043460.3168 653377.7717 1276391.8671 1061478.8999 1365419.6102 1142879.3563 1227857.7842 987348.9247 927896.4826 896499.1232 951420.6212 915889.2789 848758.3356 777625.0897 791505.5275 866914.0517 310249.4947 305525.2805 297339.7045 292830.8913 273204.3749 269086.9175 264521.6479 986728.7306 977124.1454 912789.1694 818001.8644 777882.0704 771078.2819 799173.1870 753054.2814 484934.7839 439483.9287 326496.3782 398833.7177 471699.2846 413535.1761 417338.0769 431670.8896 1014235.8482 922919.0473 1117163.5272 883079.9130 921354.3070 1393013.4208 1345756.9689 784784.3628 1092789.7033 727173.8357 1133590.7301 782561.4781 891601.7176 1013448.9250 1008039.8023 1299558.5907 888738.6483 1091212.2520 1278036.9208 1001109.1282 980415.4141 1000759.5275 1087047.5049 949983.1301 925971.3743 1382113.9787 1453573.8760 1084289.4858 1284171.4620 1521821.9962 1005375.8117 871713.2524 965190.6595 904177.0015 1174890.2209 1259548.4096 1242091.0202 PC(36:2) PC 36:2 60042975.7744 79423629.9497 63587808.9399 49930687.5782 57776737.5549 69299035.3590 57392154.7203 65464715.3535 53172918.7414 175097.1112 117492.2404 747995.6643 326334.4651 1088660.9550 328107.4052 365018.5423 304346.8620 44963340.1110 54453249.2297 52777855.8710 49018914.2636 49890392.0578 46659048.9081 43842864.7457 45239132.1020 47802130.7631 85928461.7439 89506142.9791 81664074.2094 79386922.1301 79994437.2055 78769369.1307 108981420.8383 55314858.8173 49332032.8032 47690061.4063 44835212.8570 39337876.4970 39862567.0268 35671214.9849 36461443.3126 36469313.2674 37706370.3433 31469757.1951 32158637.2833 35013872.4009 35453550.6534 31402885.6426 32724525.6169 53980112.7562 54016583.4536 66548495.0683 61450409.4900 58677922.1089 52013763.1838 58456034.5226 56535118.3523 50786233.9386 52166278.6698 50665192.3420 52863080.9578 62326037.5772 58817997.1916 58124737.1178 46907364.2987 56058197.8963 48246764.3800 52409434.0811 49654632.1487 57668750.2554 62974112.2720 56368198.2046 65044736.4291 64169592.2211 57177144.7043 56047146.0374 64176587.4097 52694863.4877 61078146.9493 71399138.0013 62203135.8190 47296340.4585 44067918.8025 58772313.5424 49575815.7147 37858181.6632 PC(36:3) PC 36:3 58979085.7805 77605738.6205 59962915.2574 43929328.2861 46306042.0455 53039735.3808 44069059.3291 56019215.5234 49163656.9005 46372.7057 41052.7994 417127.7717 181617.5563 295286.0928 124581.8237 143407.0657 123526.0937 38375817.4863 45388261.5739 43486172.1972 42388264.6594 43437987.0686 41918201.8367 38771879.1392 40249947.7917 42539306.5203 72103950.4349 72760535.7518 69560860.2040 67756328.9233 69460595.7144 67650723.3359 92696020.7829 46152684.6453 42132037.6767 42515553.5146 39987225.0910 21241509.2792 21850241.0500 18894529.5385 19349366.7972 17765951.0201 17391744.5975 14697253.8957 15057912.9788 17206942.0113 17604355.6922 14579490.0576 15476527.2026 52560906.3577 48132973.1461 57906109.4068 52348611.0239 49184486.4304 43931410.7101 45670114.5849 41892668.5241 41634926.8319 40720299.3430 48141727.3017 48106360.1302 56299947.6577 52418668.3313 51691573.9115 41778539.9428 42534759.3401 38660832.0253 44574304.5799 41168264.2332 52290702.1885 64467285.6717 52629977.5704 62977541.8109 56963140.1614 43140485.6964 40342429.4850 45630340.0526 41945303.2898 52873568.8149 64474436.7811 60266492.1135 47351650.9481 32967863.6647 48730028.6421 37525641.6245 30162506.2032 PC(36:4) PC 36:4 21278338.0419 27137391.1863 19950654.4163 26417169.6397 19480632.8689 24718339.3679 19348202.9464 22056411.6050 21673745.9240 96621.7522 87764.5309 732735.8352 356611.3624 692467.9965 248889.3320 262269.3085 233750.4178 16615335.4861 17717486.5329 16681344.5879 15990738.4884 16285795.3557 14854424.1359 12431708.3911 12847056.7062 13455409.0367 35658494.2354 36207736.1872 34139751.8536 33631793.3333 32949802.4240 29460249.7537 41389492.4145 17847218.2602 15911976.1993 15067296.2811 12713773.4886 21724818.2528 22190778.4524 19343265.4865 19881712.5772 26368824.3069 26255716.7684 23292858.9864 23782966.7405 27479215.4031 28185120.4026 24891952.9605 26339258.6438 19274223.3338 18508498.6883 21694055.5610 19603854.0401 19882872.5838 18874453.4897 21864615.0335 20418104.6680 19124548.8614 19677208.9984 17253486.0456 17702299.2403 23791854.6774 21442057.5155 20207067.9194 18011563.5769 19129151.6221 22114118.0260 18302306.8957 19362227.0667 19437014.7212 22151525.2871 19083553.1362 21458301.8268 21021343.4956 20272316.1944 18794240.5653 22562133.1914 18500981.3601 20787528.5699 22442265.0064 22524496.0592 12429649.2760 18094447.7375 18693043.1626 16995024.7367 11381056.9297 PC(38:6) PC 38:6 17085100.3981 22211659.2961 23508758.9865 17499520.3970 19138494.6883 30319462.3097 19176936.3002 29448277.3158 20035481.9866 23359.4552 18371.2464 149725.2658 64905.3447 99916.2145 37841.3461 50431.7213 38437.6381 20843074.1482 27065599.3218 25807060.4472 25261755.6413 26116058.1133 24423157.4156 23115082.8205 23936745.5098 25307684.4838 34252619.1443 33910590.0137 32338036.4809 31407378.8093 31751950.8728 30259343.5477 42076951.0683 27339679.3984 25477450.8940 24963789.9830 23846040.8115 6833742.7207 6977834.8051 5770763.1828 5997419.1294 5210462.2571 4877981.1125 3861122.7355 4199154.4456 5811061.7832 5721377.4217 4713145.7836 4963673.2138 22043493.4098 26121928.7150 29878936.9593 33208265.5264 28878921.6697 24199785.0988 26210722.8993 34240958.9516 25636903.0051 32270216.4836 19438134.4568 28374882.5375 33393671.3267 25117998.4214 25938301.5910 21235683.9870 34621287.0641 24022081.6732 27473451.5747 28917246.7415 27401616.4421 25533687.9485 24620479.4719 30545014.6454 29044574.1963 21772735.1755 24827993.5071 37853040.8318 20906694.5297 28426528.1601 32227990.3277 29949648.7455 20064736.2911 10031010.9701 23621759.1413 16897490.3596 13990294.5001 PC(40:6) PC 40:6 11695576.4076 1668040.9100 13481201.4968 2592338.3945 11580073.0501 13777124.1318 12137082.1542 16356193.8475 14716968.2617 15773469.1266 14352361.8129 13519697.7425 14629007.1480 14307115.4862 14244614.3685 13065063.0171 13199834.0522 14249823.7569 3581855.0223 3437513.0443 3382947.6626 3304421.6550 3390665.9817 3462172.9656 3245471.3336 15319499.6965 15098421.9905 14886484.1479 13469283.1188 6852799.5255 6520846.2110 6222757.9685 5908621.4295 2994319.4669 2945590.4548 2123142.1834 2404417.6793 3947934.4167 3739062.7440 3544344.6842 3640168.0806 14742422.6032 14143459.9949 14806251.1820 17230976.1329 14608474.2922 17948641.3063 16854093.1473 18929118.4657 18412326.3667 16765217.8907 13953738.8601 15135032.5088 18742722.8506 15425086.0571 14803216.7777 19832906.9025 18871119.2046 16985885.9395 19489708.0470 17978557.9652 15523273.9614 16564064.7109 15854979.6549 17077453.8745 16027366.5134 16156092.7621 17690470.3472 22089965.0123 15568704.0905 21513924.1225 14211440.9897 14999907.5251 13632731.6205 11789561.0290 12852457.0344 11445263.1856 13896692.4193 PC(40:8) PC 40:8 325115.2276 318187.1866 358432.4147 798579.3135 335957.0637 461498.9945 307667.0268 274097.9239 284660.3736 281114.6254 297071.2748 301456.5330 310577.1242 287453.8769 271876.1117 265033.4135 261155.1681 282351.1692 625825.0285 622748.0428 630929.1136 620761.2885 545377.0783 540210.8434 544072.4110 295487.8720 303786.7436 278040.6154 266292.4065 1568166.0542 1526315.0368 1510419.6516 1482095.4073 3480956.7489 2708904.9357 2110690.7601 2077224.2428 2532034.3378 2221802.2147 2208781.6790 2202247.4227 324176.8552 338385.2223 398148.3871 447420.0702 402157.1695 300166.5011 370170.0351 594352.4587 355078.2359 587520.6161 261508.5025 362517.0809 458474.6560 376550.2085 327338.9436 303550.2482 483061.4566 582066.7403 349268.7868 415592.1249 361364.5874 322215.3041 342324.7203 373999.6795 376768.5578 407033.5044 417076.3604 727051.5970 334265.7221 271615.8313 484991.3570 473284.3886 200336.5390 379285.2360 297218.1067 395369.5154 192349.3678 proline Proline 652901.2848 691489.2337 1054297.3524 716042.0271 537055.9948 483312.7512 413505.3886 479566.6060 516525.4864 648760.4918 652024.6395 557556.7160 530431.7696 502422.8042 510845.4576 495729.5970 480813.1675 524615.7888 508355.0660 477177.6831 449536.7697 435204.9542 408975.0945 444563.5549 446516.0392 559003.0613 514011.1327 485313.8386 495079.5738 252933.3031 257152.8544 244371.8066 238579.9631 140008.6447 138739.0690 131216.2878 130108.3289 179728.1657 179595.6451 158347.2105 158787.3572 628247.2238 625054.0324 629165.7419 689234.6492 696247.7267 493944.5313 597267.7687 487373.3329 363045.2436 448047.6591 637625.7291 606007.6231 718503.4234 772585.9098 757507.5194 702197.7654 456858.6208 416717.5203 679857.2629 493971.0055 733528.1370 713256.8109 694980.2024 630712.5371 684675.2259 484314.8310 546401.4901 423890.3644 469170.7508 476946.1953 599671.2217 732274.3922 664914.4284 251068.6884 720039.2532 491097.7764 457946.4630 S-allylcysteine S-Allylcysteine 1162716.0910 1715335.2746 1211591.2596 4440874.5633 929052.8979 937028.0031 975171.3200 1240135.8798 1005944.1327 1115819.9848 1336068.5085 1363227.9312 1478912.7199 1449955.1414 1362373.8204 1325799.4664 1308442.0979 1170688.7926 2357.5327 2708.1621 3841.9881 4192.8989 4372.1504 5801.7587 6450.5768 1304018.8743 1455327.5943 1332229.0988 1364600.0580 1148050.7446 1169247.1337 982385.6976 922875.6929 507724.7537 551011.5645 519890.4533 518705.3466 852614.6459 923137.2285 807664.7575 845052.5923 1789765.3324 1429313.8122 1942872.8380 1662696.0679 1613031.5343 1038330.7585 1111311.8749 1091259.1661 795290.2502 871068.2917 1918990.0963 1765307.8778 1985248.7796 1668072.7829 1975333.6902 1403783.4351 1108047.1663 994884.4195 1307737.0184 1199256.1067 1289264.0406 1370436.0650 1301820.1836 1653002.4301 1377538.9368 1066968.3119 1373360.3916 1006655.0194 1073458.4263 868260.0744 1485668.3068 1415135.4547 1523775.7800 718157.4171 1852734.5997 1395782.1673 1617049.6118 serotonin Serotonin 41558.7150 52061.5822 79041.6855 97391.4381 32249.9600 29998.7334 25303.3252 29364.0244 25007.0601 44701.8121 46151.0538 45801.4494 46958.2655 44570.9384 43670.0971 41156.8515 41009.0722 44774.5942 44507.2001 43786.4897 44125.6851 47056.3395 43227.6748 39665.6713 40824.1329 43085.5973 45739.3825 41712.5385 41300.7141 13979.7084 13518.2064 11439.3843 11807.3980 16751.9586 15054.6105 12195.0410 12976.9544 24213.5080 26670.3315 24314.3943 23848.8289 69542.7015 52362.8842 65219.5010 64317.6848 3171.8400 26347.7555 32651.5537 27219.8767 23374.9780 18073.8344 61270.7866 55788.2077 65874.3427 85328.7860 72663.5869 35670.6117 28519.1937 19129.7719 36410.4526 35600.8122 67104.0154 53562.5551 57260.3717 55176.2541 49585.2957 35583.3627 33487.2843 18415.4092 27907.7586 27432.5676 37375.2750 66230.0124 53267.8415 16086.3958 56319.2930 38829.0040 34532.2276 SM(d32:1) SM 32:1;O2 1922078.6573 3096669.3537 2191917.7430 1257164.9558 1695654.4987 2509820.4354 2317386.1405 2103289.1207 1531947.6582 1225760.2729 2506814.0913 1680091.5390 1974475.1880 1533065.9054 1555065.0404 1737119.8946 1791733.2370 1792983.4602 746272.2811 460371.4499 487222.6439 397554.6723 398336.2181 511942.8749 491276.0640 2472181.5461 1880933.8101 1707671.2254 1750626.0571 1587013.5045 1693995.9852 1291251.1706 1281528.4175 1265951.6395 966315.4450 814957.3352 889926.0398 1494505.7275 1777307.6164 1085690.7477 1192786.4183 1409097.4370 1227366.3297 1654495.0079 1425078.0228 1438929.2122 1516465.2505 1446861.6607 1251897.4685 1708605.7685 958561.8954 1638916.0135 1119619.5624 1356434.5610 1722609.5211 1438150.8472 1345591.6444 1088305.8033 1266836.0074 1331340.0643 1021651.2696 1268944.9556 1402560.7197 1436479.8211 1435234.8394 1366840.1099 1734721.0698 1705995.4243 1549514.4058 1808819.3125 1730020.3495 1683561.1153 1489284.2067 1931129.5701 764904.2760 1826310.2337 1715363.5450 2671184.8825 SM(d34:2) SM 34:2;O2 7891092.5460 13817710.5147 13865496.8575 10297690.7775 12391530.7362 17581122.9380 14487792.7248 10611506.8080 10775462.7209 10244303.9449 19807431.1746 13491288.0739 13904486.7639 13066738.6603 12320714.2105 12445624.6966 13614565.7584 16258273.9593 5317028.4895 3328528.9593 3282054.3723 2959992.7257 2860866.9162 3147659.3600 3148429.6234 19743356.3735 14340113.5671 13646567.3863 13933070.1074 31571387.2095 32261194.4135 27809924.3829 25802443.9077 31094926.9503 25339768.1283 21300106.2429 22609960.4680 27524836.7424 29504895.8672 20665593.7694 21719761.7279 9842686.9311 8869994.0957 12026063.5223 12141839.0870 11254494.0656 11403780.0397 12794084.5658 11960528.1943 18012860.3480 11596026.8712 9431632.2700 8466450.0342 11348130.0785 14850362.1633 10344122.4064 12194274.7297 13651624.6105 15760768.5815 10728936.3522 10446837.1777 8991230.4362 7841408.0422 8444297.9836 8142034.6899 8295782.3171 16304837.9700 13454105.0173 15576144.8436 12058433.4379 10587916.0150 7036989.2766 10206926.9368 11683229.8050 5288428.3566 15206668.4063 15520381.8395 20252463.1850 SM(d35:1) SM 35:1;O2 1506041.0312 1360468.7124 1192928.1476 898597.9322 850098.0902 782902.8555 916117.0833 832021.1070 984118.3519 490302.6936 739674.7874 770318.7859 802649.2967 753188.8539 735462.8966 619541.4525 622135.5906 639263.7774 276423.9360 277462.0900 289466.6719 274710.0845 274293.1245 247347.1813 244503.4324 735721.7840 798145.3241 745930.3901 615982.3554 1665340.7641 1713293.0669 1697828.7612 1725124.6294 1196210.2633 1249311.5416 1254793.6862 1340544.6824 1349118.9102 1369731.0837 1377245.1763 1415824.1288 1327215.7655 1090521.2414 940822.9670 717777.1471 957173.6687 852305.1854 780768.2138 674036.8342 910015.5631 680843.4451 1311778.7914 1035223.7077 1312771.7781 1132467.0224 1229089.2936 943986.4681 717464.8104 1236538.3030 757420.5889 830977.4074 1041713.3240 1159092.4376 988636.7453 1138510.7645 1170371.6294 926162.5593 740715.8577 637449.6602 1050161.0049 738393.0237 958774.1495 897160.0446 755258.1576 1971715.0645 753686.4080 886123.2802 750662.8253 SM(d36:1) SM 36:1;O2 3467055.5749 4221524.3053 3034977.2029 1335666.3123 2436869.1040 4995311.9213 2937125.3514 4604036.9378 3943298.3704 3879046.4697 5219461.0994 4850148.4166 4629780.0968 4705738.3008 4648665.5729 4272017.7921 4419228.6394 4722758.2005 5701573.6808 5361498.4627 4995772.5245 4794119.0833 4987304.2478 4758550.5372 6462092.1939 5217071.8036 4553396.0900 4682707.7150 4350548.5483 2345364.0121 2403354.4983 1748658.6034 1824905.5573 2607270.6633 2495745.0018 1927273.7058 1993450.2880 2474189.1653 2450753.1611 1925441.7192 2060610.5452 4167382.7035 4750607.9791 4885837.4217 5106724.9207 5495609.3386 4101529.5156 4134891.0756 6223378.4380 5173205.7640 4742195.7498 4274768.1537 4536087.4743 6172278.5587 5297966.0888 4268643.1322 4258476.1283 7088352.0797 3310281.5533 4322893.2645 5228407.5806 4270159.0344 3646582.9684 3579101.9270 4415840.7910 3956652.6967 3549909.7914 3164348.5264 7455363.0049 3931337.6613 4288713.1662 3642619.0740 4232483.1159 2956516.8870 2608902.7356 3427300.2795 2449663.1954 2700799.0039 SM(d36:2) SM 36:2;O2 1196108.4225 1354811.5771 1638330.3695 1433705.0309 1418504.5964 2086197.6002 1695443.9182 1701741.1278 1520797.8647 3084.6999 1884325.9306 1730657.6067 1612162.1887 1697978.9546 1696093.4303 1695864.8248 1473461.8830 1543053.5574 1579915.9800 473201.3683 438165.0122 441407.4568 448617.3859 453028.7426 432047.6546 442626.7140 1841633.8681 1614310.5760 1772223.9049 1605808.8388 5571985.7401 5423880.2817 4928555.2489 4636059.7066 6143880.2333 5526389.4520 4164054.8373 4750617.4572 5286954.7302 5019200.8185 4336629.1767 4507072.7368 1531027.4294 1494540.5177 1480815.6060 1813552.3515 1599158.3714 1408420.8160 1478761.1361 2421982.9899 2635142.2613 2463444.6319 1420920.0444 1421811.0340 1787120.9803 1677408.1713 1527288.2127 1388061.3854 2348321.6567 2059509.5252 1345109.2813 1843298.4528 1111535.3046 1249472.0745 1479441.8507 1172941.6463 1216859.4116 1834700.7214 1447417.5439 2679440.2034 1606791.6257 1379928.1111 1403305.5427 1290433.7399 1454923.5559 1464324.8072 1599255.3361 2119533.9060 2381850.7318 SM(d40:1) SM 40:1;O2 2808965.5774 4391862.9911 10776390.1671 1116327.5958 3047967.1628 2334475.3919 5697243.1969 2846006.0372 2220886.2333 911730.5291 3180593.6264 10802222.4802 7848342.0887 2683788.8445 2915976.1186 3344068.0444 3288019.0405 3080312.5782 539959.4581 1537245.5638 1093370.4542 608316.6748 551415.8420 586327.3452 551807.8735 3334737.9066 8094652.2901 3439234.2817 3292895.9328 978365.0876 1113449.1882 868526.2702 782180.2635 597186.7420 657648.3583 793525.3912 914415.5688 1175043.5225 973952.3921 1243379.2600 856398.7095 3088062.2892 2541874.4839 4309957.8524 5058203.9038 8771579.1998 4531066.6769 3265169.2616 7691181.0582 2657336.5870 1166349.5596 5277914.8027 2641811.3374 11967352.6008 5933194.3364 3351052.9542 6222580.2333 3695630.0258 3346844.8326 4433457.9784 3207208.3568 3016186.9547 2031252.0510 6711269.7109 2851529.0905 3076856.1819 4390485.5278 6396266.1171 7483844.1993 5641022.4903 2485339.8717 5106447.3728 4778882.0331 4240707.1214 1367475.5929 3366162.1351 1917329.2202 3136941.7351 SM(d40:2) SM 40:2;O2 1529976.8625 3232056.2910 3056761.8832 863364.6495 1744938.3015 2668155.7019 2057568.1458 1696267.1392 1777189.6871 1617588.7123 2740057.8394 3068113.1306 2395317.1780 2139822.4278 2050403.4146 1783982.8236 1910031.8486 2389422.9425 490871.0039 492981.9335 374971.4825 353502.8858 319471.7518 327859.5918 347640.4412 3199047.6606 2463601.7455 2064864.1557 2107792.4534 2080743.9894 2033221.5412 2181348.2912 1983353.1860 1500318.1246 2230177.0499 1372501.2343 1459676.7703 2767206.8677 2564142.9027 2113753.5016 2197649.5852 1914678.6605 1724129.7717 1960586.0753 2063957.7740 2668597.0507 2397086.0805 2598105.2510 2575697.5108 2279598.7157 1629235.7305 2228611.8765 1601621.2417 2996183.9890 2980034.2934 1722456.6439 3116824.2964 2819264.0423 2182992.6983 3327758.1121 1856665.2529 1869441.7363 1481169.7047 2102260.8024 1715084.9959 2052938.3303 2804096.5635 2034525.0182 2450202.9591 2036401.3289 2673955.1147 2186322.2111 1858898.2694 2101504.7273 1605566.2809 1815128.9772 1923883.8390 2290183.1154 SM(d42:1) SM 42:1;O2 3027803.4390 4112739.2058 2901885.2239 1738738.4041 1946018.7130 2213079.4260 3247241.3355 4478921.4056 2733667.2450 4210862.3254 4378239.3254 3541814.9910 3949239.7884 6654146.8046 3394841.3329 2897045.2624 3198821.4119 3634534.2722 3552946.4309 3225880.8895 3136776.2624 4947776.6018 3729781.2616 2832894.8236 2321149.2402 4493441.5357 5349984.7988 4142968.6278 2871929.2241 593540.5185 492402.0428 410167.6918 510394.3585 867127.5851 876654.1094 722363.6611 716505.7221 1062549.2520 1067575.8304 997459.5197 992569.0588 3104911.2799 3221172.1994 3741247.1721 3115597.0223 5053713.2518 5829511.2297 3217949.7031 3363811.1737 3245182.2999 2300638.6785 8139467.5663 4408396.7013 3784424.7730 6032751.6661 4491675.8584 4899812.4838 5044140.3129 1357564.0740 4005590.0077 4748769.9689 3842666.4868 2349061.9886 3639340.2080 3127074.1758 1993733.6961 3769115.1475 3559451.8830 4000879.6008 5474760.4385 3957292.8605 3015786.3684 3569330.2840 4720430.0944 1423506.3464 7076865.2712 4432260.1860 3962195.3210 SM(d42:2) SM 42:2;O2 12480797.9729 15310813.9900 32084508.7874 15955768.0394 13129266.6462 11903488.9529 28381600.8997 13305093.0795 10526533.5417 4467611.6901 16758054.4863 25460956.4537 41987510.9678 31807171.5932 15161382.1379 18140434.1953 18859144.0921 20162435.4128 3350849.3911 3650618.6819 5550745.4664 3195328.7795 2580557.0200 2871794.6847 2802196.6330 16890578.3150 43011355.0416 16424897.4940 18777949.3371 13588418.3798 13997533.0360 14049564.9923 12705468.2980 4138858.8226 5779789.5090 5296235.2978 5861817.6713 10633079.3956 9459998.3939 8160320.4706 8623492.0648 14457279.7494 11715439.0414 22191837.8162 31082230.2303 17707619.1537 21577102.4105 10609884.2208 20199401.9219 12471783.7610 15188467.0704 19099509.5342 25057341.4835 28793651.8468 18722811.7228 14047592.7710 14637470.4023 13389857.4684 11492257.7534 10698268.3282 12935800.4754 18725500.2088 9644816.4161 30737082.5236 11037339.0511 8744860.5727 13794914.7923 30666912.0425 21154217.1064 34045890.9545 11764103.3981 23052898.8364 20249084.8303 18991459.5198 8335082.3804 17628898.2627 23692620.1212 20057925.2007 sn-glycero-3-phosphocholine sn-Glycero-3-phosphocholine 419922.9630 369092.4340 233088.1594 383406.6075 596893.7362 364225.3928 361972.2328 432089.6330 390626.3996 232259.3548 269168.4580 267019.7962 243833.9124 254447.5768 243826.1252 251317.8713 264416.4039 270446.4498 511791.3959 497413.3002 428054.3180 584073.6677 436926.9782 476490.6298 463439.8253 284198.8470 242466.1393 250527.4067 253178.3873 51329.5778 57147.1951 49734.6078 49251.0943 55150.2240 65565.5574 46386.0532 62115.1208 111091.8350 118244.2806 123260.0127 110040.5931 204432.1493 165879.6288 246238.3151 159499.5259 215608.3646 404745.1195 495169.1702 162775.4062 184473.6047 199579.8673 250798.5832 195100.9844 303413.6154 277927.7954 268571.8236 692187.3000 145719.7035 438301.2246 288227.4568 236161.4828 251430.1921 324954.6637 236823.9979 186225.0120 227091.9561 323511.4980 563154.4863 168250.9193 462700.4144 781254.8182 201958.5498 299125.4949 150452.4067 205320.6989 644840.0689 652078.2131 530062.6024 sphinganine (C16) C16 Sphinganine 1580329.6974 1718841.9201 1660851.1175 1516312.8515 1596345.9820 1529096.5095 1532331.9125 1510428.2843 1516754.9802 1672637.7030 1745595.5660 549975.0096 803770.3470 1615471.4300 1664963.7380 1075023.4830 1185659.1020 1427959.5267 1468172.8816 1482379.7749 1504839.2105 1409832.7663 1368447.8715 1386830.7543 1383719.5039 1347316.0367 1807239.1098 1892405.9928 1925667.8580 2317407.7543 1800501.2549 1754390.5304 1701766.6941 1469546.1066 1470933.2769 1383792.1750 1387357.9264 1498059.5535 1493066.3709 1410193.1341 1428089.5202 864360.5118 1182434.0921 1298217.2174 1362572.3402 1402264.9771 1492462.7215 1391925.4874 1426081.2293 1561339.1073 1526370.2495 1604112.2462 1605665.4914 1537936.6757 1555128.7409 1443726.2989 1568349.3746 1451456.2121 1520778.0803 1530487.9950 1464976.6374 1684365.4072 1579383.9480 1526853.2921 1558603.6374 1483096.6374 1694329.9673 1566472.2971 1460433.0042 1510415.7366 1460525.8529 1545018.7565 1534567.2599 1501517.0347 1557333.5399 1555627.3687 1789199.6474 1514147.8976 1429564.3396 1661575.8271 1571593.9134 1570230.7123 1412527.0665 1487000.5512 1500804.8072 1467615.0646 sphinganine (C18) Sphinganine 242872.2456 277096.8566 268818.6993 394978.0693 86658.1301 73917.6238 67077.5804 71119.5240 124987.1117 218148.0841 158139.3375 154300.8797 147208.5032 172816.1926 196194.6482 223750.5390 212206.9865 207264.9441 145254.1390 134229.8217 135201.8819 129850.7041 154311.2502 176357.6115 177149.4281 168894.0243 142241.0605 167133.8193 214873.1804 99003.8068 100399.0273 111861.6708 123311.8915 98867.5070 106668.4886 109153.2816 109981.9972 60839.3460 68688.0283 54561.3960 60513.9535 290060.0397 195166.6110 127513.3833 92419.7426 132432.9343 89822.7036 412745.3467 70428.1226 83472.6119 72522.6330 305553.3297 208243.5649 178556.4452 172695.7725 129885.1879 110058.6293 114179.1335 79992.4693 111464.6702 96974.0570 216400.2041 292205.9711 193567.2577 207962.4844 238033.9181 63944.4775 89838.8923 78200.2475 83195.3563 82143.9247 212835.6956 171783.6521 343566.9676 144946.8112 185063.7575 133406.2579 261521.5519 sphingosine-1P (C18) Sphingosine 1-phosphate 244197.1117 239183.7972 384461.5517 206866.6271 127517.0975 190986.6575 222814.6869 267978.5214 319042.2502 220276.3703 351702.1314 310029.3381 286734.1022 266266.2298 270972.7841 222559.6449 228073.5755 269020.3764 349969.6395 292849.8698 264832.2034 274057.5676 224931.0804 216574.3736 222562.3100 345872.1583 284072.9855 262440.4628 235083.2906 103461.7821 106772.1898 65710.4766 71848.3210 109416.7506 106699.6431 68471.3330 80582.8968 89884.8768 100146.3473 85683.4191 78343.4545 393049.0967 294966.3101 303352.9719 396195.1229 391612.8458 225105.8796 275800.3661 271710.1927 259627.5877 208713.7363 360148.3778 266905.1240 448164.0825 469935.8472 317067.0079 319723.2804 296723.8663 233921.7607 331230.9142 243546.8628 361422.0197 270153.0730 378408.0513 321641.0221 301103.2570 230332.8168 221967.8155 238280.2931 223486.0825 264644.8897 262315.6356 305723.0249 155546.5758 135130.1570 266811.4505 210500.7639 199999.6983 sphingosine (C18) Sphingosine 565728.5767 529278.2709 477813.1653 1328396.9824 359889.7305 361479.3172 306271.7897 459719.9303 579964.0247 549716.8650 565140.4374 530298.6676 513572.9806 534817.5325 506926.7420 517212.0208 538818.3741 539489.3794 276218.0140 314828.8991 285952.1176 265176.6383 284020.7084 285049.0320 405244.3390 552435.1913 495484.9387 513429.9238 526689.8645 186761.8802 209286.0464 181768.6358 195959.0964 84945.0508 130206.0320 147396.8720 155016.8021 195186.2545 229351.7928 212937.6515 228570.8653 509459.7130 506724.3501 471531.5081 434909.3717 546983.5239 357765.2368 416239.1844 331581.5637 309913.4096 311850.2863 517963.8912 441911.8299 633324.2479 440394.7879 507082.8310 458095.2011 419769.0126 278794.1769 458722.6884 343966.8249 569868.3328 593145.1382 404371.0659 522041.2429 452265.9352 267698.5980 387485.6444 382321.2005 335511.1888 348597.6101 495693.2409 630814.1671 525943.2730 273124.2434 962964.8429 542192.2172 981280.1356 tryptophan Tryptophan 795588.6768 801355.0474 1001132.8313 1473083.6718 457424.7912 442497.4683 372370.8720 547387.7521 510726.6106 757410.5214 620212.4407 606525.8481 649165.3107 630769.0100 623206.4228 618626.9905 636851.4424 623707.9838 141465.8765 142571.6262 139371.5906 138913.1780 143481.8713 142674.8904 142933.1217 674773.6980 666829.4386 669461.3057 648056.8597 473196.6518 451062.7062 438760.7351 416324.7555 511732.8555 497903.9065 464437.2973 455929.8730 590325.2362 612131.1290 570554.0664 560602.6487 745559.2752 708177.0525 849477.5074 836305.0622 734867.3167 480478.0981 543969.5375 541020.3552 439240.5907 553998.6916 767957.6235 752180.5167 924310.3504 763260.8345 1016346.9335 551084.9927 626218.8203 393935.9313 600688.5770 520310.1597 732241.1006 846550.1053 628842.5507 840533.2527 856344.3375 505017.4868 486025.3923 585128.9129 405220.5012 428516.9393 845848.1300 729969.4429 748663.5982 262125.4292 716612.6954 453248.6083 503328.0055 uracil Uracil 200106.3589 194406.7384 309837.1516 564607.0990 241267.1061 277786.4229 260327.1098 335201.9744 241481.9915 250594.2661 253452.8786 248701.3979 231917.9165 252506.8426 252004.8110 261913.0862 258074.7615 259035.9790 380105.1282 382628.0111 379827.2706 384993.8022 389738.1774 429503.5549 403242.1558 243741.6243 242159.9485 251628.6449 254304.9317 327229.7889 308180.1478 340332.5708 335707.4540 236569.2747 246047.8338 255416.0857 263706.8382 535128.4760 529847.0394 559516.2340 571885.4575 166897.4323 158375.4371 197234.2591 180122.6905 204270.5847 274307.4072 309524.2122 170180.6018 292849.7863 166657.8077 183948.0998 173273.8183 154730.1184 189407.6608 189329.8339 138424.6042 368050.8485 130637.7433 180874.6764 235870.8195 294434.5403 495919.7874 382721.3070 304579.7648 266019.7908 244290.8425 225062.7458 241658.4161 191868.5923 376574.1791 244156.6453 405817.7798 207573.2972 148239.3152 623182.5964 252887.1108 278926.2070 urate Uric acid 617437.9764 627045.4989 894127.6533 1147626.5444 749727.2340 710396.2321 592693.0442 575573.2426 546436.6343 531504.8890 484930.3191 496306.9299 488466.7305 511926.2554 505066.0533 533656.5444 526092.0787 548433.2900 476874.1717 481675.2886 473084.7611 472537.4194 459019.8089 453204.8846 455905.0035 471133.2550 488020.1841 504717.8257 543839.8544 580760.1482 609517.1704 627419.2783 620755.5134 1069210.0783 1058497.6392 1117578.4828 1109175.5864 790990.7021 806842.0915 879186.8510 876322.4286 640225.3251 628658.7615 513683.6874 567997.4807 484869.4322 476102.0687 732377.3097 423957.3960 543781.3935 382985.5660 575613.1436 486626.0335 591700.9128 529981.4221 592142.8924 562792.5942 371767.7386 386210.5880 449764.4285 530893.5993 624137.9128 607899.1741 706570.8160 681995.3954 536426.4844 625137.8560 416455.5646 423783.0857 399990.3032 382284.1993 645493.1171 650077.7465 705139.2315 422113.1974 986434.7083 518169.5455 638670.6059 valine Valine 809691.3195 891612.9485 1008992.6139 2142851.6613 585528.3530 528399.9284 555916.7934 604711.1360 649388.3408 800847.8148 956409.1761 935797.4061 937836.2731 876953.7128 872430.1200 864885.4004 823271.2725 909094.0290 539059.3053 566350.3773 567935.4731 632494.7197 709396.8590 667997.1781 589474.4170 983041.4564 887231.8141 887180.3087 871700.2082 291840.3576 327249.0817 306103.3085 311116.8757 225853.9249 213355.3245 209075.1023 141785.0889 293717.6431 325771.8783 324066.3663 259814.6598 1077554.3643 1047812.5906 962038.2939 974605.6106 1021942.4892 645615.3480 591334.6035 850702.0404 596611.4975 672029.3847 933267.0046 820258.8708 1181290.9799 1089007.9884 779218.4323 643453.5481 756488.0803 587623.6452 710280.3489 732577.8166 1244141.6114 940010.7228 959393.6558 1062400.4850 958992.2401 525161.6165 614174.9783 767023.0334 466935.0139 549419.5625 829521.6190 1003539.5892 991808.7836 370573.2632 721578.0049 533160.6082 454260.7326