Metabolite_name RefMet_name 90245016809 90248016809 90252016809 90265016809 90266016809 90217016809 90229016809 90232016809 90237016809 90239016809 SampleBlank01 SampleBlank02 SampleBlank03 SampleBlank04 SampleBlank05 SampleBlank06 QC01 QC02 QC03 QC04 QC05 QC06 QC07 QC08 QC09 IPE_Reference_Liver IPE_Reference_Liver02 SED_Reference_Liver SED_Reference_Liver02 90559016809 90560016809 90564016809 90567016809 90571016809 90421016809 90422016809 90423016809 90426016809 90430016809 90576016809 90578016809 90581016809 90585016809 90587016809 90439016809 90441016809 90444016809 90449016809 90450016809 90406016809 90410016809 90412016809 90416016809 90420016809 90280016809 90281016809 90283016809 90289016809 90292016809 90251016809 90254016809 90258016809 90259016809 90267016809 90218016809 90222016809 90223016809 90225016809 90227016809 Factors - Group:Control | Timepoint:8 weeks of training or control time | Sex:Female Group:Control | Timepoint:8 weeks of training or control time | Sex:Female Group:Control | Timepoint:8 weeks of training or control time | Sex:Female Group:Control | Timepoint:8 weeks of training or control time | Sex:Female Group:Control | Timepoint:8 weeks of training or control time | Sex:Female Group:Control | Timepoint:8 weeks of training or control time | Sex:Male Group:Control | Timepoint:8 weeks of training or control time | Sex:Male Group:Control | Timepoint:8 weeks of training or control time | Sex:Male Group:Control | Timepoint:8 weeks of training or control time | Sex:Male Group:Control | Timepoint:8 weeks of training or control time | Sex:Male Group:QC-Blank | Timepoint:0 hour | Sex:- Group:QC-Blank | Timepoint:0 hour | Sex:- Group:QC-Blank | Timepoint:0 hour | Sex:- Group:QC-Blank | Timepoint:0 hour | Sex:- Group:QC-Blank | Timepoint:0 hour | Sex:- Group:QC-Blank | Timepoint:0 hour | Sex:- Group:QC-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-Reference | Timepoint:0 hour | Sex:- Group:QC-Reference | Timepoint:0 hour | Sex:- Group:QC-Reference | Timepoint:0 hour | Sex:- Group:QC-Reference | Timepoint:0 hour | Sex:- Group:Training | Timepoint:1 week of training or control time | Sex:Female Group:Training | Timepoint:1 week of training or control time | Sex:Female Group:Training | Timepoint:1 week of training or control time | Sex:Female Group:Training | Timepoint:1 week of training or control time | Sex:Female Group:Training | Timepoint:1 week of training or control time | Sex:Female Group:Training | Timepoint:1 week of training or control time | Sex:Male Group:Training | Timepoint:1 week of training or control time | Sex:Male Group:Training | Timepoint:1 week of training or control time | Sex:Male Group:Training | Timepoint:1 week of training or control time | Sex:Male Group:Training | Timepoint:1 week of training or control time | Sex:Male Group:Training | Timepoint:2 weeks of training | Sex:Female Group:Training | Timepoint:2 weeks of training | Sex:Female Group:Training | Timepoint:2 weeks of training | Sex:Female Group:Training | Timepoint:2 weeks of training | Sex:Female Group:Training | Timepoint:2 weeks of training | Sex:Female Group:Training | Timepoint:2 weeks of training | Sex:Male Group:Training | Timepoint:2 weeks of training | Sex:Male Group:Training | Timepoint:2 weeks of training | Sex:Male Group:Training | Timepoint:2 weeks of training | Sex:Male Group:Training | Timepoint:2 weeks of training | Sex:Male Group:Training | Timepoint:4 weeks of training | Sex:Female Group:Training | Timepoint:4 weeks of training | Sex:Female Group:Training | Timepoint:4 weeks of training | Sex:Female Group:Training | Timepoint:4 weeks of training | Sex:Female Group:Training | Timepoint:4 weeks of training | Sex:Female Group:Training | Timepoint:4 weeks of training | Sex:Male Group:Training | Timepoint:4 weeks of training | Sex:Male Group:Training | Timepoint:4 weeks of training | Sex:Male Group:Training | Timepoint:4 weeks of training | Sex:Male Group:Training | Timepoint:4 weeks of training | Sex:Male Group:Training | Timepoint:8 weeks of training or control time | Sex:Female Group:Training | Timepoint:8 weeks of training or control time | Sex:Female Group:Training | Timepoint:8 weeks of training or control time | Sex:Female Group:Training | Timepoint:8 weeks of training or control time | Sex:Female Group:Training | Timepoint:8 weeks of training or control time | Sex:Female Group:Training | Timepoint:8 weeks of training or control time | Sex:Male Group:Training | Timepoint:8 weeks of training or control time | Sex:Male Group:Training | Timepoint:8 weeks of training or control time | Sex:Male Group:Training | Timepoint:8 weeks of training or control time | Sex:Male Group:Training | Timepoint:8 weeks of training or control time | Sex:Male 3-(1-pyrazolyl)-alanine_feature1 3-(1-Pyrazolyl)-alanine 86162.6752 83516.3834 17332.1423 96008.9872 96055.5489 17005.9395 19316.3237 120243.4070 57713.0308 91651.6608 822.5528 997.7223 947.4973 645.5860 892.4066 890.3180 86809.5382 72345.7198 73057.6756 14205.1616 84501.7079 73601.4863 80263.3120 79904.0997 77799.2041 49822.3988 46084.3328 72897.7633 1452.0833 15321.8120 96969.3788 67871.7787 94448.0958 15717.3853 64384.3625 80119.6278 77022.3403 93741.9675 95826.9471 9832.4752 68626.8256 13583.6377 83997.4321 20041.8957 22638.1738 12769.1718 87331.2652 87342.5275 66318.1008 82281.1964 77830.0307 71936.5576 93119.8245 119400.1710 60693.0855 53632.3932 97767.6591 76828.1027 7937.0320 88087.6514 63162.1013 8193.3506 93947.7241 83877.6008 114526.0688 9299.4529 69370.8283 54648.0230 76574.6824 Car(10:0)_feature1 CAR 10:0 89527.1795 81638.7529 56558.8477 130286.2234 90695.8348 56881.1571 86867.5161 86427.7986 39343.8391 41412.9133 1707.7339 1966.7770 2172.7127 1615.3933 2516.5572 2058.7951 93670.7873 89094.3280 94016.3128 92634.3167 92827.6517 96296.6163 92177.4260 96222.9222 87827.8128 98155.8393 96883.2146 32116.5841 36415.7478 125931.8760 100264.7261 62684.5865 163495.9646 110615.7650 109380.6120 84843.2263 107256.4281 102751.1232 56994.4887 127642.0648 86405.1479 159965.3257 187334.2299 101771.6439 169421.1499 119764.2769 153191.4190 100189.8544 75563.0017 92107.8013 112418.0850 110984.7401 113350.9011 158040.3475 62081.0318 38914.7527 113655.3321 67836.8889 53095.0825 85606.9554 90521.7706 101719.7172 63087.2919 122603.6186 80650.9902 76816.7274 62823.2606 38275.9415 56581.3259 Car(12:0)_feature1 CAR 12:0 121114.8124 163144.7286 71027.5686 151352.5494 130642.5301 58015.9590 166990.8472 118292.6846 39116.9447 48847.9953 1112.0078 1626.0609 667.0900 1094.7686 616.5028 1210.2198 122833.9585 119454.8268 123986.8896 117548.8020 113661.9673 140376.4638 118854.6871 128906.2862 112098.4809 107505.8621 112841.0695 29022.3279 24692.8862 168614.6711 187631.9129 98822.0077 231063.7556 224321.0173 290599.7262 110888.8214 128881.5588 103753.8475 59734.9672 174797.1695 111827.7687 291018.2555 276978.6662 149819.8708 231542.0300 139253.8773 243902.5350 158581.8325 97276.8137 138663.5583 156637.6721 127010.0219 164781.9636 224679.5898 59427.3534 36429.8996 163862.5603 74795.6092 57831.9219 122912.4701 112748.8079 119830.6379 60501.5760 122647.2831 98377.2867 97273.6803 71659.0345 44283.7301 41974.6366 Car(12:0)_feature2 CAR 12:0 126640.5159 95337.6747 47070.3828 97018.4390 96519.9612 37488.2116 129669.8109 75171.0670 36433.4296 38198.5602 1239.0192 1181.8520 1015.5605 1156.8209 399.1540 1594.0296 86858.6197 101166.8581 98564.3538 102310.5272 105028.4088 77887.9190 100726.5287 87626.6161 103297.2455 80013.9165 71836.9721 20969.9535 21824.8994 145199.0342 154948.1364 74213.9558 194004.9743 101189.1116 281892.1282 96466.0170 96766.4450 105834.9938 45892.6418 101094.6287 97391.7556 251463.0905 238272.2068 110498.3266 183847.3486 134944.4283 222074.8802 141024.6543 91492.3173 89328.0167 116137.9317 104181.7352 103355.2629 177994.0026 54911.9191 29368.2848 113181.4844 71593.6367 49616.6752 100579.3407 82616.7278 124314.4544 36655.1398 95468.9306 87272.7592 89793.0169 62598.1300 28968.9783 26456.0909 Car(12:1)_feature1 CAR 12:1 99237.6269 87978.9799 59496.5227 109390.8388 109118.9733 31079.9057 68155.6219 63367.4173 28313.7093 35218.1607 806.9978 840.0705 798.6578 984.4840 866.9090 808.7036 87720.9010 82566.4042 87839.9010 87203.4366 85302.9812 86686.4211 86814.9645 88009.0117 84021.4038 79906.0987 71970.5003 21019.2681 16260.1946 139664.4577 129191.8319 81049.5634 189120.7490 146786.3319 78281.5084 62964.5096 68527.3262 77146.4459 38635.7085 139912.9685 91395.5067 214213.8734 231936.0746 125182.8582 121875.2466 83920.2967 133243.7671 93422.5430 47470.1395 123645.5151 125685.6422 125174.9443 133283.7677 178455.5966 38037.1032 29608.1876 101078.8965 47522.0677 42932.4386 85885.3842 91916.1651 84582.4806 58116.7994 105125.9464 63813.8716 67823.9941 49939.6872 29662.5006 29019.8167 Car(13:0)_feature1 CAR 13:0 77312.4105 59545.2507 53721.9878 70601.0427 66134.4158 28041.9149 46847.5034 45858.3490 23282.5689 29663.5936 707.8697 1047.6698 411.6180 1249.2316 568.4511 1569.6660 56877.3602 71072.3284 55014.6725 63092.9280 57901.7026 58673.6190 61492.7464 58917.1328 64604.9323 67921.1243 87532.2293 29062.3032 36726.0859 69427.0917 77679.3139 94021.7207 124637.5485 94190.1063 51341.2787 47194.2225 41969.4792 59368.6236 27494.5555 84395.7385 57375.9079 162693.9636 243115.7260 93642.2950 78584.5912 60734.1320 124332.0677 56247.8871 37071.4527 87728.2628 87752.4043 72210.5281 73531.3184 77605.9304 31630.0883 37790.0140 61452.0152 33501.2192 29456.1690 45045.8795 65653.7331 54983.3016 43437.1278 66671.0917 41862.1486 33173.8597 39749.4313 23405.7534 20494.0842 Car(13:1)_feature1 CAR 13:1 44921.0077 34888.6071 30629.0842 40241.8888 40975.1796 15467.8386 14102.4790 14783.4961 10415.8999 12342.6314 650.2270 794.8878 752.8274 508.5505 601.5024 612.3863 33701.7551 31848.4879 31056.5683 29779.5812 29407.2840 28831.7398 27536.6217 28282.8124 37730.8838 26644.9934 17821.1240 14117.0494 11370.0639 37398.4374 31510.2369 25668.9476 72582.7868 44513.9500 21400.3736 17851.7726 21177.6164 22356.0819 19790.2116 54536.3941 33059.8636 72878.6584 75604.6219 58747.3267 28441.8621 21804.6117 61208.2664 15021.4988 19619.8727 54287.5240 45944.5431 56979.0335 41192.1848 57222.6420 11159.9363 15440.8447 20872.4712 12234.0829 13236.5896 27877.4652 37850.6509 42700.6654 34770.9722 49457.5762 12785.6618 11981.6402 10948.6851 12175.9409 7585.6673 Car(14:0)_feature1 CAR 14:0 501446.2941 724708.6350 356340.0433 378083.8186 403104.2017 190675.2067 396865.3798 632822.1344 204103.1791 239372.7203 435.9262 220.9905 225.8035 643.1152 483.4238 576.6557 427029.5718 561889.7294 416444.7879 555795.0481 676743.4455 431706.3181 423224.2435 426506.1242 567611.8562 364675.1471 532780.0231 134532.4626 150480.6389 762172.9358 643388.4406 328916.5188 842397.5245 683988.9605 728140.7407 676096.7351 467867.4404 468209.4942 222948.1763 629295.7717 503434.2277 1438657.4360 1515665.3160 453520.7627 1258627.0390 726661.2718 1476214.5000 831782.2361 447784.0394 573139.3956 698486.3324 446569.3438 629218.7937 735309.3365 332620.6730 151109.4319 937295.7199 491275.8164 229842.2636 541776.7112 367939.0634 289765.9026 193880.5808 418742.8174 378612.1215 446080.2020 264866.2881 139964.9690 130651.7055 Car(14:1)_feature1 CAR 14:1 340016.5655 313330.7092 186575.0877 298244.8378 282428.5347 137710.6766 181625.3045 208611.4102 80292.9134 103495.8200 959.2420 1338.2232 413.4569 1675.9993 1969.1792 2110.5054 259425.0193 271188.5871 273864.7006 265382.0821 267944.6285 267126.8287 266902.2963 241595.0668 286219.2598 288966.9357 256359.6058 79693.6209 79523.8585 372997.6572 650573.1783 240458.9149 573936.2728 406055.9223 262787.0996 407084.0778 217744.3731 198805.6057 123241.7077 579859.6889 303824.0377 989137.2239 678706.9732 346769.0269 493788.8615 415294.9777 642423.1118 566529.1223 240286.2021 503386.9720 369601.8265 247789.2003 398585.6970 426918.9470 113076.6157 65133.9697 383136.6003 205549.9447 108829.0731 264700.6758 231804.5516 188264.5968 95327.2491 217979.2348 205737.3910 221222.7211 136510.3049 80925.8970 61068.3472 Car(14:2)_feature1 CAR 14:2 97032.5995 118521.6725 47082.3222 83386.9448 96171.7087 48407.3795 122874.6512 85199.6636 40491.9884 46408.7563 177.2836 783.3139 743.8929 352.5036 693.5306 691.7591 99400.7833 91498.7063 103993.2220 40885.8863 90845.8124 93001.3174 99648.4600 92407.8807 85288.6128 101381.4908 44853.1902 23518.0246 32560.7409 130561.7410 164312.9016 65309.4339 209694.6531 234018.6816 114313.8395 90816.4981 44331.5167 79718.3098 40125.1428 132203.2845 85222.3091 118535.9515 233199.8481 133273.6168 195741.0708 117726.6206 81086.2250 59734.9683 34985.2765 128608.2172 171611.1913 110426.3290 123349.5421 143699.1375 43791.1754 30482.8077 145204.4640 56211.2509 39647.6191 90686.3123 118935.7461 76819.8787 30537.7840 73543.7365 77955.9871 97117.2656 48591.5364 22076.8005 21645.1701 Car(15:0)_feature2 CAR 15:0 70591.5092 73800.3681 57985.9986 75502.3373 82326.7936 37097.3327 59245.3066 76938.8014 26994.8267 37127.6455 200.5760 751.6728 786.8011 192.0075 686.3174 755.3583 52376.3263 76958.2958 73115.9723 70443.4391 62004.4431 67149.2714 64851.5042 59473.9037 72059.8270 61206.5213 66343.8254 21834.1806 22872.3584 72359.1940 66855.5348 58519.2935 126505.9953 75408.6548 96124.0631 65782.4886 77011.0666 88219.5124 32032.5644 92482.7205 62874.2707 190854.4167 146104.3112 106167.8219 135111.7001 86953.3589 159000.9349 94342.4037 46328.1815 59442.3369 43532.2665 63775.0558 55111.4977 91984.8517 40302.2059 29429.8476 107245.9833 45787.3461 36337.0339 58143.6790 53749.4892 44778.5904 24940.7228 49486.0934 62930.5760 59859.9325 40368.4622 28676.7103 39833.3904 Car(16:0)_feature1 CAR 16:0 2972771.3720 3095415.2390 2060683.0400 1771945.7560 3094192.8880 1537627.8050 2715731.3190 3673969.0700 1391446.7990 1780231.4380 1288.5293 727.6718 850.3431 737.6961 846.8187 1098.9032 2865756.4320 2845434.5620 2866527.5660 2914424.1290 2829743.0820 2917000.5750 2863784.9840 2842917.2030 2867391.6750 1925366.4250 1883271.6740 662056.4959 651359.6648 3063931.0830 3288988.1620 2408567.9160 4244222.1650 2664152.3200 4476237.2730 3823083.6380 3767720.5620 3355566.1110 1858333.6260 3033735.2210 2574401.0160 6569217.7220 5235241.2640 3729328.8300 8791849.8270 3837093.2160 6853141.8360 4623499.8610 3744441.7520 2430267.4390 2544908.0310 1881062.7650 2460087.8450 2721357.9820 2100240.2040 1309220.0290 5716061.8050 3064608.4560 1950470.5310 2254079.8430 2095965.5650 1192947.6200 904048.1109 1570966.2750 2519190.4820 2284928.3810 2043597.6900 1200133.6140 1141157.1730 Car(16:1)_feature1 CAR 16:1 636431.3494 592241.7930 360768.8692 487356.5294 574706.4747 223163.7302 460284.0102 672223.1115 173096.1261 203343.4024 138.2170 634.0571 583.6065 134.0549 605.0868 633.1110 555052.0217 545465.1931 539323.8227 543111.0495 541340.4467 528061.7903 551475.8342 536151.3828 560044.0800 512287.4697 519465.9976 144270.6907 141720.1783 660128.8570 685851.4526 395157.1221 1086328.9100 697577.4506 692798.7690 544490.2849 556239.7883 528036.9772 272076.4583 710962.0736 424320.4467 1408518.8150 1389145.4520 571124.5027 1077632.9190 786638.3038 1348964.0540 751799.3333 563217.8574 683935.2336 622645.1718 437632.6680 596743.0145 690618.6152 333121.3851 166574.7777 790666.5737 424065.2655 272201.2077 506181.5716 446963.1986 295062.5233 189596.7863 417757.9610 473529.5455 459693.4479 359966.5349 168235.4448 167525.1816 Car(16:2)_feature1 CAR 16:2 144866.6023 108490.6943 40513.0708 101268.2898 97693.0425 46673.7012 118171.6020 143395.8219 41565.1480 58327.4431 106.6202 205.8091 206.9720 131.6634 360.5388 255.6702 164542.2228 163768.2616 122487.5678 179105.4447 177877.9182 188364.2683 143094.2360 148947.0933 160857.8758 139115.2117 254490.9367 36870.1748 40708.9424 155938.9364 178085.9900 82842.5215 190027.9695 199167.3211 196619.5419 167069.6956 155826.3813 127747.2244 87609.5183 184165.3672 99561.3111 506207.8994 481517.8388 138509.9864 418765.7356 295413.4946 299001.8854 224593.5859 192970.4074 259560.3253 175252.1049 105941.6815 171940.0418 155489.6348 82453.9423 46438.0340 259516.1085 112078.3461 61054.6761 122285.9533 114045.9269 75240.6023 37781.5760 117101.2285 188968.0189 127454.1486 100923.9363 34878.1502 44308.8370 Car(17:0)_feature2 CAR 17:0 124631.5928 102918.7281 127461.6778 84463.6277 151635.0216 85096.9303 119301.4801 126191.1084 59574.6797 53912.2316 286.6366 1563.3335 1112.7433 710.0843 947.2221 634.9382 114340.5161 113552.8053 115512.7574 120865.2431 133640.1806 87416.6450 119001.0090 121830.2869 115234.8368 107208.7082 98961.4775 34634.4175 32573.8371 120789.7912 130919.7666 68930.6154 231193.0824 105853.9893 196719.4672 149904.5677 165880.8512 100249.8986 66550.7474 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2289783.0490 2719206.3390 2026055.4900 2437565.4460 2659623.6820 2991817.5840 3571770.1040 2248929.6720 2601418.6090 2304313.9180 2540863.2310 3471434.7690 3291685.8420 3384530.3870 2878484.7690 3289716.9140 2516439.4990 2164981.2480 1848192.4760 2704770.6550 2384558.8770 2482170.1680 3321040.6970 1863577.2770 2625919.4280 2842291.4710 2561852.3380 1993853.3820 2729643.2600 2111726.5660 2949893.4880 2157655.2110 3004503.5650 2715373.8810 3248644.8690 2611750.2270 2359609.8080 3038114.2420 Cer(d41:2)>Cer(d18:2/23:0)_feature2 Cer 18:2;O2/23:0 124703.6814 178471.3821 157555.6609 197030.8527 183430.3661 139588.5087 130467.3889 144879.0996 130712.2614 131925.8056 601.1242 639.2799 780.5204 605.3176 618.4444 642.5379 148160.1009 154690.7280 133712.3678 134352.1124 142350.5641 140396.9673 138806.6536 146530.0055 150640.5889 184208.7559 181876.4289 114563.9871 112799.6687 161962.0607 132952.9597 125081.4165 189099.7587 113556.5903 123470.4710 118091.8779 148764.4807 151351.5591 101719.9608 132392.9115 134588.5079 121445.4424 154010.5771 186069.5877 151434.8007 122160.9981 133921.8271 133703.5054 104796.9579 111130.2567 142725.1061 148994.7504 152220.1310 203137.3632 119027.2229 133098.4499 139250.5015 139903.1778 118365.7485 180762.2612 151660.8555 201545.1071 162488.1436 219024.2407 143845.2590 172681.9898 117914.0514 142845.3105 154521.3955 Cer(d42:0)>Cer(d18:0/24:0)_feature1 Cer 18:0;O2/24:0 343705.3097 175098.6259 330073.1826 335107.8111 388509.3370 432512.1030 332704.1961 462213.1283 396982.6919 398598.8720 575.7097 583.0369 613.1633 639.4503 621.2767 638.0658 359696.9824 356534.5926 335874.7805 350053.1838 365316.1524 361720.4564 351512.4924 359921.9508 344965.7440 199437.6363 218473.0058 208100.6477 220332.0839 418713.1463 215516.1272 311140.4117 381658.6707 255019.7413 561467.5336 428725.5485 489460.2120 662691.2876 454154.2767 493571.1819 194804.9452 320003.9320 694826.5312 396555.1248 572047.4085 644598.8062 539330.9382 496477.5592 350135.4948 172156.3815 269574.2238 241789.4884 262489.0103 290020.8680 435751.8666 499298.5697 497134.8827 582753.2079 284239.0200 276985.0228 253841.2705 231867.8983 211402.7404 223005.0723 471250.8975 393016.5222 411061.5185 341136.5190 417624.3477 Cer(d42:1)>Cer(d18:0/24:1)_feature1 Cer 18:0;O2/24:1 166568.6100 93976.2367 214241.5850 108205.1852 152702.2386 204753.5960 110402.5780 223434.6774 195770.0880 241351.7297 451.5508 454.2108 452.6713 538.6057 492.8465 505.9289 159502.2916 167423.6886 181095.1907 132868.3265 160153.3974 141475.3345 154877.2110 175629.6899 167175.7902 73013.6960 73567.5859 92280.7278 82909.8609 163058.9582 98778.9678 159208.7595 175187.6900 138120.7434 247903.9083 170471.8162 227129.2699 297777.5988 180416.7268 273085.7569 74936.4171 178301.9239 388832.1314 197864.0091 250195.6980 273894.5196 264036.5220 225493.2219 150561.5001 73480.6038 96388.8270 66149.4425 91810.3660 138636.9080 173105.2198 194971.4861 224374.9518 226743.4874 116716.1195 109327.9950 106360.6194 82139.8481 76168.5869 72385.3968 212066.0381 149417.5573 231391.8379 153068.4874 163036.0455 Cer(d42:1)>Cer(d18:1/24:0)_feature3 Cer 18:1;O2/24:0 3995727.1700 4265803.3950 4564566 4766147.4540 5155581.1360 5281948.1150 7275722.3610 5587047.8290 5628886.0560 5289979.6240 1163.8655 1067.2553 1060.5521 1208.3630 1232.3621 1170.6409 5186429.4380 4927118.2250 4971120.1740 5115008.2300 5072886.3090 5143936.3760 5082591.2770 4963090.6570 5081195.3490 4885758.9990 5777808.2080 4345867.1920 4420740.7520 5046607.2810 3809418.6340 4524160.5340 4738734.4620 4362606.7670 5916660.2020 6288216.9530 6428625.4530 7262580.1360 6210729.0320 4756070.2430 4632885.4060 4511669.4480 5560740.9010 5438516.6000 8168570.2720 6284487.2330 7218708.7320 6354814.8730 5593960.5070 3847649.0990 4772550.1950 4265276.9750 4549674.9650 5553500.5800 4623133.5050 5535036.4930 6954442.7330 6346535.9460 5161809.8720 4654625.3960 4188408.4420 4936934.5280 4177011.1350 5452038.4580 5449759.7740 6270151.0450 5628083.8500 5483462.0140 6102457.2240 Cer(d42:2)>Cer(d18:1/24:1)_feature3 Cer 18:1;O2/24:1 2023533.5510 2319029.4690 2492357.9170 2533580.5380 2448001.3480 2713517.2950 2452295.9530 2704659.8120 2349228.0800 2467314.7780 1076.6757 1204.0316 1341.4350 1218.8599 1186.2373 1249.0896 2088203.2800 2115508.5880 2055939.2600 2143482.2900 2235567.4540 2082789.1900 2102648.7780 2086246.6660 2098565.4850 2460154.6870 2731763.3760 1816273.5910 1928109.8690 2076023.9440 1713105.4410 2023683.7100 2161806.4310 1992502.0230 2135936.7230 2244897.6810 2800213.6410 2726753.9670 2482759.6260 2310887.3210 2019555.1780 2341607.3480 2674714.7630 2534519.9810 2645703.0930 2655385.3590 2913865.3170 2055672.7090 2266132.7770 1806185.0840 1762517.0240 1798563.6440 1682017.0880 2445626.4790 1850697.1780 2149946.9270 2349404.5100 2455967.2750 2096293.0550 2014422.3470 1691204.1020 2276683.3550 1727308.7700 2108420.2460 2434642.3260 2674093.9950 2301573.2080 2183943.5440 2575897.5000 Cer(d42:2)>Cer(d18:2/24:0)_feature4 Cer 18:2;O2/24:0 1070315.0980 1131048.5660 1125176.9650 1327491.0940 1455414.1840 1040002.3880 1351485.5200 1064905.2630 1197058.1600 1220071.7610 672.2507 676.1899 691.3028 800.1418 747.1122 730.7353 1190905.2430 1228756.4130 1218570.7540 1186888.8440 980765.1633 1225576.9580 1050481.2910 1233617.6720 1284281.0120 1256818.6810 1370882.2280 1060335.1670 1025951.0180 1088089.7980 801751.2956 920111.4279 1241068.8990 982643.4176 1135672.5560 1131382.5220 1281867.4440 1456203.1330 1023086.0470 1253565.0610 1046987.0250 974207.0162 1385816.9710 1472153.7420 1528819.4370 1187594.4730 1247929.7390 1604564.1880 874160.1304 847626.9865 1081688.9770 1183563.5130 1135188.1460 1685198.7770 868782.6159 1265339.3240 1388605.9660 1168760.7260 1108595.4600 1337717.4830 1189101.4110 1729105.1240 1215078.2100 1494729.0060 1245949.3790 1402850.2620 1241165.5550 1095444.4210 1353774.2940 Cer(d42:3)_feature2 Cer 42:3;O2 438564.5197 546108.4162 577769.7796 650115.0748 630377.7172 529496.6844 546927.6264 615347.7481 475337.4291 496480.1465 738.1818 908.8499 985.7061 769.6957 782.0055 793.7432 498504.6507 471330.3029 556950.4886 541861.3404 523259.8005 530947.6164 464768.5114 524637.5199 510715.6162 697807.8503 659241.8560 462401.9672 449187.7619 501363.2257 397305.3206 412181.0499 509525.2859 432354.5861 471536.5921 502835.5077 643455.5417 518736.2493 427241.8055 564777.9061 456213.3082 479316.5573 577316.8668 655910.2756 601312.7359 531756.5839 572477.0680 483894.8897 480702.4753 338408.9550 421529.5052 502983.3297 466006.0459 666957.7332 391782.5251 504637.9752 534306.0608 551048.9236 448393.1321 511049.9569 435142.3052 589141.3958 444974.5357 520060.1857 496276.6382 530553.9285 450320.6409 498418.6614 487218.7149 Cer(d43:1)>Cer(d18:1/25:0)_feature1 Cer 18:1;O2/25:0 536836.3059 436278.9585 426450.9094 418950.0063 582277.7095 1120288.7090 1750024.8110 1573819.1500 1276909.2840 1151645.6960 731.2335 740.8401 834.0484 842.3217 898.1368 821.6656 1015394.6970 989277.0279 979808.8324 932605.6828 987517.7222 975735.0675 964174.0347 1017309.2390 994912.8250 1310985.5000 1526378.0450 1122400.3820 1208951.7670 716626.4717 461820.6256 617249.2176 697216.4362 500423.9777 1808890.4800 2016942.9450 1505202.1170 1780136.6280 1599937.4140 715849.5209 552983.3754 600930.2186 1098505.9660 737353.1992 1893213.4460 1985496.4970 2075660.8910 1747534.1540 1491921.7800 500072.6994 513146.2538 572239.7578 626949.3677 800164.0529 1046297.9780 1378285.2170 2000062.9150 1593967.0480 1506129.0350 401218.6275 604949.3791 698382.7413 591299.5486 624338.2493 1442364.1080 1302723.6080 1695664.3450 1475548.8270 1774379.9270 Cer(d43:1)>Cer(d18:1/25:0)_feature2 Cer 18:1;O2/25:0 372348.4310 541862.2589 579239.8732 804354.1693 668057.1959 491127.4186 791255.7272 601461.8359 650673.9673 592379.4076 836.7943 829.3631 928.5548 866.3148 916.1983 1122.1398 569598.0622 566448.7841 558503.5426 542863.0102 633364.7339 556126.3392 587409.3078 508555.5128 594035.9186 240769.0019 159308.0296 153645.2535 465951.7574 517069.3977 375240.3179 497248.9217 518090.9508 497034.3470 221835.8594 45926.2410 679995.5861 808380.6867 510876.4227 541249.7491 509694.4648 621233.1664 747884.7034 829167.5653 901183.6738 286237.1870 254611.8651 297408.2073 225441.2721 473130.0617 772097.7253 452155.1186 644047.2568 940421.0404 419112.2291 232029.5655 534559.2939 527354.2757 180588.0700 636700.6033 377350.0777 611852.4360 399314.1623 646789.9972 695002.4834 675138.9425 561054.7534 529069.1776 751529.2907 Cer(d43:2)>Cer(d18:1/25:1)_feature1and2 Cer 18:1;O2/25:1 160046.4347 130609.2007 125284.4101 231877.1384 226045.9006 195755.3933 318806.7328 274118.4717 269073.1340 256949.4397 1010.9251 1061.5529 1311.7462 1289.8089 1353.6764 1382.4514 238037.7233 208039.0515 210093.8745 183026.7927 226961.3234 206161.5183 225295.2010 230644.7747 207239.4588 251099.5963 296363.8694 211876.1444 262753.0014 163382.1871 131966.4549 129247.0337 133460.8216 151151.6636 242303.8078 277776.9762 271099.2044 353730.2235 214969.7054 212772.9393 176961.4273 172382.2520 278263.7846 186060.2945 365327.0549 313288.9829 263360.1351 297281.3550 201813.1872 142745.5319 166767.0245 169342.1705 185937.5347 214911.7294 171754.8401 262997.6436 333794.0502 287649.5322 203993.2359 190000.9883 154764.3010 233430.3832 172443.5365 179680.3173 267043.8471 299852.6689 288976.8818 232369.2960 328894.3970 Cer(d44:1)>Cer(d18:1/26:0)_feature1 Cer 18:1;O2/26:0 284877.6215 315201.4340 325087.6378 454878.9011 382824.3597 207816.3247 355323.0056 242991.7761 260544.2499 249406.8075 806.7002 817.4187 820.8369 880.0303 890.0765 862.2274 287430.2664 314095.6182 297846.2586 296435.7971 289297.3579 284845.6374 309336.1050 302446.8316 294254.1634 190817.3284 189009.7709 161266.3848 160302.5549 429456.0396 264404.3688 299800.4646 328446.7520 281584.5016 241058.3063 238044.8326 337217.8609 381928.4230 283292.9638 447771.7891 308956.6602 386706.5945 549412.5462 459344.4551 421858.7650 355794.4955 383487.9887 303303.1524 198040.0956 293806.4100 399773.1815 339785.4931 374838.4367 592979.7762 154697.3799 213739.6122 271338.1492 242897.3388 232429.6165 264815.7047 249192.6797 464136.5997 320681.0374 321042.5329 283797.0193 273866.8554 321880.1704 228257.5288 274637.1864 Cer(d44:2)>Cer(d18:1/26:1)_feature1 Cer 18:1;O2/26:1 195050.6903 292374.3562 320171.0022 306054.6563 284160.2574 204514.6975 247568.1609 215596.1711 222468.8445 236817.5166 634.2928 610.3994 826.6664 615.6742 628.8435 694.6420 249944.9095 257608.3173 251185.8312 247850.8402 243519.8212 242862.2925 253020.3533 250552.6891 256025.7838 234911.7564 210633.1129 188286.0856 166133.8288 298066.4938 273121.1782 278786.3620 282998.5788 249459.2970 247847.8555 205261.6772 331045.4421 333122.9643 276514.8287 335069.8488 214827.9398 325357.9963 325364.7108 310964.5317 356508.1877 313274.3754 340027.5454 299713.8436 203506.8146 226142.2509 230918.9082 252300.0101 267265.8868 395901.0624 154289.9740 181490.2014 303595.9355 238931.8375 194418.0489 230275.4911 201976.7931 368957.5495 240231.6672 231292.0593 247733.5070 221795.2519 275077.2992 198507.4852 185333.4837 Cer(d44:3)>Cer(d18:2/26:1)_feature1 Cer 18:2;O2/26:1 31885.7004 52749.7145 58062.4488 64640.9126 50217.4479 33549.0302 39787.7451 33181.4599 34892.1301 37760.0599 510.5613 535.2039 699.6843 548.1398 547.2290 627.1760 38516.6568 41476.5365 43171.1387 38842.0100 33867.6135 38174.1108 45341.2521 39481.1116 39093.0261 40078.3973 39599.1074 28692.2593 29827.0897 48539.3083 45769.2775 45264.5794 47063.8652 40597.2169 28804.0755 27657.9557 34933.0596 43803.1494 34579.6077 54528.2941 43451.1223 47167.5585 52267.4763 59124.7820 49327.9469 40187.6840 45047.6498 41022.9982 27224.1569 34924.0131 27473.9443 42681.1333 44118.3584 69703.7956 25422.9326 28506.6173 38180.6241 39319.1466 28547.4421 51404.9200 40568.3173 70710.9405 48267.5165 48873.1830 42119.6542 38097.2369 33368.5732 35097.0054 30672.2114 Cer(t42:1)>Cer(t18:0/24:1)_feature1 Cer 18:0;O3/24:1 77293.2035 81216.6381 86668.9289 100528.1144 96133.2955 85094.3900 86963.5824 93687.4094 87864.6911 100556.1781 872.3956 1232.7709 1326.2411 858.4198 1191.8216 1145.0219 92518.2158 99950.3000 93731.6278 101184.7769 97949.2736 93367.7509 91230.9143 96696.3279 98905.9965 85381.7825 80845.5908 81815.2641 70287.5183 105403.8273 70176.4766 79926.8791 89755.6064 81195.1646 93520.8040 86558.5840 117621.5565 114284.5562 96022.4136 99500.8902 74438.3981 87299.3703 113860.8267 107771.1437 104705.6229 114112.9076 117988.5616 98459.3216 84502.1073 69116.7002 91541.5465 91277.2300 86819.3509 115947.6537 80337.6747 95137.7916 108689.5843 98173.4377 84612.0430 97267.2617 75631.5479 115726.5367 88932.9913 107818.2018 95629.2518 102169.9994 109891.7476 95788.1118 111565.9303 coenzyme(Q8)_feature1 Coenzyme Q8 354852.2532 359048.1752 470261.6245 301935.1540 380649.5491 62730.6446 138269.4463 99803.8151 191642.6349 156325.2840 652.7335 654.1685 893.3726 669.3494 667.8388 764.9506 290299.7130 289512.9023 295907.9624 281725.4126 281264.0417 278886.0028 287409.2961 302126.3148 286012.9465 267708.9534 259015.4637 188294.7072 171092.7894 478934.1217 337565.4480 455567.3979 592246.6659 671465.7250 130425.2072 130364.3975 226834.9459 234481.0242 134139.4810 638929.6846 406298.0036 539299.3803 766856.4822 551266.6756 183773.5357 138935.4364 244762.0323 176974.3103 123158.2467 324748.8786 461760.6342 545885.8955 356810.1297 573117.6865 119132.9314 145332.1262 169818.0990 136567.8973 111078.4087 407772.4527 466735.5728 477629.8535 289080.6815 409258.6150 100095.1865 121076.9742 171965.7346 167988.3357 160920.8948 Coenzyme Q9_feature1 Coenzyme Q9 5524786.1620 4601039.2610 7586176.4300 4136226.1220 6416507.4900 2137525.6280 4266054.4080 3270911.5030 5653707.4610 4621040.9100 1085.9738 1070.9273 1202.6039 1028.6722 1093.4425 1127.7590 5282031.9110 5159897.4710 5206104.7110 5177026.2920 5235694.2890 5152115.0210 4972900.0690 5296944.7220 5318067.8270 2763906.4630 2904878.1640 2007328.0360 2187127.5550 7662565.2070 4594285.4700 7254714.0780 8098218.3170 9960873.2730 4015164.9380 3703463.8790 6090339.6980 6713270.1240 3617490.4570 9600153.1670 6472324.8630 7990260.5570 12880977.3200 9109510.8590 5350837.4840 3987695.8720 6297561.5220 4548584.2900 3505584.9370 5331497.5820 7374078.2940 7281624.0860 5241992.0250 8508396.6090 2830201.7750 3211669.2280 4403754.6370 3682306.8900 2919908.7320 5427688.7020 6614206.7730 6383148.0360 3764552.3050 5067909.3690 2534435.2600 2992225.4690 4475432.5180 4238207.8820 4908498.3820 DG(32:0)>DG(16:0_16:0_0:0)_feature2 DG 16:0_16:0 460933.5896 441664.4366 431302.7767 417852.7515 431088.2516 431326.1357 494563.5661 570789.5766 589813.2095 616327.2782 5797.8167 4702.4023 5291.4970 3987.9627 5596.2581 5174.7260 442310.6011 445954.0119 466818.5458 447832.9069 501948.0611 461889.3337 422860.6392 423530.0237 479842.2824 524426.4586 506708.4131 469189.1561 527392.8565 428640.6044 561200.6586 442461.9473 478075.7798 414616.5693 529969.7011 521100.0861 472887.3621 570737.7735 553892.6181 456685.9888 431098.0567 399501.9935 443483.3423 396774.9105 446725.3898 466113.4916 643378.1024 465453.5674 450560.1849 388518.9771 393369.1531 411890.0922 440949.6690 395573.5309 558883.4457 556939.9256 420910.0460 514470.8794 689169.9740 460844.9793 478740.7444 530077.3648 435682.9571 473463.5377 413766.5405 446655.4387 453465.0550 488384.6582 487052.3226 DG(32:1)>DG(16:0_16:1_0:0)_M+NH3_feature1 DG 16:0_16:1 37089.5521 44499.9592 88848.8285 99213.4444 76139.5278 59107.4144 99973.8647 155354.4209 146326.0329 166977.3926 298.8436 287.9734 336.2296 320.8328 321.2171 344.2677 66344.8358 67798.0736 68434.2849 73540.4116 69492.9871 68051.8553 70354.6865 62264.9083 70966.2848 95920.5147 88610.0233 73056.7684 81349.5740 65428.0523 63363.2728 46678.6129 62470.0859 32808.3769 85991.0499 44380.9017 82000.4016 107506.6689 118710.1999 70551.2153 36162.1901 42394.6011 77916.6250 63300.6603 57783.9072 73182.8346 143657.4913 44559.6625 49448.8163 20160.8962 45662.8753 43624.4233 44532.8768 76917.2189 59852.8329 75756.2507 35808.0870 71272.3467 101426.5864 124810.7370 43936.8111 129365.8823 62655.6915 88323.6417 36125.0668 62287.0915 54650.3445 59625.4135 93991.0355 DG(34:0)>DG(16:0_18:0_0:0)_M+NH3_feature2 DG 16:0_18:0 816598.8544 928361.4005 780673.9136 932224.0347 753492.5674 858084.9259 876538.1887 815777.8771 885178.1627 964371.9121 18519.5618 20436.3958 19974.1908 21158.1869 23422.1161 23005.9668 818301.2490 778065.1375 763899.5440 761698.5939 711744.1055 679913.3764 785113.5901 797357.8185 827607.7026 818617.2241 914754.2651 834657.2969 845634.4500 836631.5226 765007.5851 870305.5323 776274.7200 761057.3099 816986.5375 832028.0065 710257.6530 796130.1464 758596.4973 791789.1673 934208.5532 844749.4084 817875.4349 748421.5794 813975.8493 819729.4895 767093.1729 869292.8849 862013.9484 793466.1365 832773.1000 758623.2668 826743.7128 787589.1561 812317.0220 862566.8313 831099.0079 772072.2552 948916.8079 917506.4030 814384.5822 1034893.4290 924700.5041 827263.8688 843874.2114 912117.6614 765264.8142 849499.8668 921839.2991 DG(34:1)>DG(16:0_18:1_0:0)_M+NH3_feature2 DG 16:0_18:1 1781916.4440 1591447.0030 2503012.6720 2323778.1830 2474013.1830 1987647.3750 3514443.6180 4912786.2290 4777212.1450 4787416.3100 1322.0811 1954.4811 1381.3423 1326.6979 1435.9195 1465.4176 2676932.9150 2355756.5990 2763811.4840 2566763.3940 2580803.5620 2643663.3490 2446886.6020 2533104.0240 2685126.8740 3396509.1780 3428981.7090 2351394.4040 2420335.5520 2533668.5750 2060772.2620 1717253.2310 2716693.7920 1745063.5950 3050419.8290 2704923.2910 3158096.0590 3846639.9290 4071578.7690 2764691.6450 1577969.4560 1877568.7650 3349103.3120 2544473.7190 2418078.5960 3508355.9620 5762679.0960 2183302.6360 2167551.4980 1111128.6300 1845050.2730 1654577.3750 1895232.4610 2485871.9130 2803546.7760 2898729.4840 1724261.2770 2824630.7750 3751696.2700 2644453.5380 2132540.8420 3164893.7270 2047729.6000 3016207.8430 2001342.6990 2161845.4640 2284359.1120 2295787.9890 2373543.5840 DG(34:2)>DG(16:0_18:2_0:0)_M+NH3_feature4 DG 16:0_18:2 4086232.4300 4188418.8010 5983034.6450 5270798.5250 6006344.6050 6190285.3000 10768142.3900 13364783.4300 12006652.8200 12340526.2100 1514.1508 1513.0275 1429.6882 1638.2211 1533.7330 1522.4606 7105114.0610 6583944.6920 7420706.7360 6972991.9590 7384886.8470 7214931.3720 6695072.1660 7041696.0840 7059973.1570 11407761.9000 11152831.9800 7529318.9270 6571351.5610 6612061.9430 4879783.0730 4821221.5330 6224065.5240 4595414.4490 9270240.8440 8200547.0620 8746992.7100 9780193.3440 9816435.9280 6471541.0660 4251502.6250 5271299.5290 8362316.9170 6785422.5000 7819031.8370 9982327.0280 13867269.4100 6691185.9670 6164251.4160 3077615.9640 4516599.1540 4499689.8010 4912585.8280 6952255.3900 7056500.9730 7877469.3140 6594518.0200 7587265.0210 8215687.7340 6529400.1540 4917232.7220 5920236.4900 4466664.6100 6237967.6670 6408396.1890 6321740.3140 6242773.9790 5290082.9140 6658136.9320 DG(36:1)>DG(18:0_18:1_0:0)_M+NH3_feature1 DG 18:0_18:1 34615.3446 33414.3017 47039.0217 50797.3887 41287.8925 48436.9825 48083.5250 108083.0937 85011.6699 96523.7334 242.2729 237.6286 238.3924 236.3228 237.5961 242.0213 44492.7100 37201.3397 51590.9267 48354.6557 51311.4980 47508.2537 39167.8929 42386.6889 47184.7990 69327.7920 73321.1463 46659.1755 60808.3273 38015.7970 41178.5937 34349.4866 44685.2683 33899.4055 56405.5544 52817.2192 44593.0721 55934.3996 86888.3151 40167.2963 32018.6816 38503.3068 49523.6575 34040.3869 33577.2945 50521.1087 111185.2065 38079.2233 35570.2540 20925.8506 30225.0349 28804.2253 33725.6560 29957.7839 67510.0181 58122.4329 26533.5828 67385.9293 86421.6872 48949.8143 45518.8916 60691.8493 38629.9833 54551.1850 34144.9891 32359.7921 41766.4965 51320.9020 50776.9692 DG(36:1)>DG(18:0_18:1_0:0)_M+NH3_feature2 DG 18:0_18:1 114701.2916 104990.1510 157033.4868 157693.8392 176855.6039 95909.2583 188555.5995 184080.7028 190646.7461 155690.8535 237.7547 309.2270 268.7076 262.6147 249.2404 257.8454 130751.3183 126218.9384 134527.7031 126935.7596 127406.8314 134535.2650 122092.3663 129376.5990 133141.0086 122049.2480 141633.1084 107564.4240 110055.7444 172656.5288 148989.4904 143222.5298 155507.0550 112306.3675 141306.1092 134557.0613 147170.7304 150789.0894 120411.1910 167328.7674 103421.1753 126703.5494 211818.7093 172854.6365 127802.6080 172226.8686 220384.9003 106836.9131 90371.3615 77916.3551 119438.6188 108060.6755 120088.1976 178520.2767 86873.8754 111390.6072 113165.9408 97302.2203 145096.0529 157088.1289 112752.6731 213194.2922 116172.8401 167777.6005 99525.0828 120466.0500 99025.3273 102769.1340 127787.0651 DG(36:2)>DG(18:0_18:2_0:0)_M+NH3_feature4 DG 18:0_18:2 603749.5004 531187.7391 854369.0458 888992.1753 950501.5247 348990.0791 1053332.0300 879390.3751 492793.0820 382797.6656 234.5763 246.1704 314.8471 344.7853 312.4864 305.4421 647764.9933 661129.5683 669306.1419 664609.1653 674842.0861 622413.2554 683261.8021 644113.0497 664585.0829 765054.2763 763057.6747 551700.2049 589140.4153 839712.3275 511037.1286 708752.7172 791388.2110 621893.8342 508028.8908 435406.0090 601719.9134 640791.5726 239359.4580 871040.9972 639087.3611 627039.9192 1184688.1470 949367.6828 562592.0161 732819.4198 565077.8606 320228.3933 375970.0801 463726.4430 634033.8013 630057.9028 648619.1070 1035160.8850 413553.3417 584581.0883 611568.2594 341562.5357 556096.2560 889772.2350 586726.2787 984185.2072 599752.3923 784109.3277 560530.9421 698599.6241 280740.6565 497491.4112 744113.7064 DG(36:2)>DG(18:1_18:1_0:0)_M+NH3_feature3 DG 18:1_18:1 535697.1109 834838.1711 853878.4702 628755.9588 1346766.0510 1132766.2470 2124083.7340 2406852.6930 2137521.5550 1394639.7520 948.3265 1003.4471 943.0019 924.2499 1075.2815 946.2751 1045369.0070 864822.2265 1040282.4280 1002879.3610 979683.6730 967243.5392 940985.1236 1002224.4780 998640.1684 1279778.5430 1234864.6860 1031995.6010 1096398.7830 758197.6138 839328.3866 1045335.7570 785488.7843 557062.9061 1241461.5310 1210569.0140 1178104.5820 1454152.8440 1209079.2900 917166.8245 493428.9788 942438.7008 1051714.1400 860920.9606 917904.9003 1658994.1950 2388603.8530 862552.0400 853751.6967 708071.3958 442240.2203 542164.1778 540651.4208 766725.5020 988900.6174 924138.6391 691560.4950 1056418.2440 1078209.2310 894167.5178 662260.4851 973625.7489 670220.0688 904280.0670 894574.8140 863109.7850 870894.8233 768750.8171 816149.2277 DG(36:3)>DG(18:1_18:2_0:0)_M+NH3_feature3 DG 18:1_18:2 610897.3053 526561.2291 1152863.6210 883030.0672 990484.4478 1854519.3370 4255512.0540 4669319.9490 3909132.8370 2208533.8170 258.8411 243.5529 248.5545 267.3868 244.0650 318.3111 1506901.4230 1465613.2980 1521478.6720 1506525.0150 1491662.0140 1497792.2750 1476842.0340 1495462.1460 1509743.2870 2263490.7030 2271400.2120 1716128.5740 1589576.5070 1208291.5100 957273.9793 623705.0169 999444.7214 765053.0511 2508441.4650 2260366.9280 1987786.2900 2672431.2060 1724531.9260 1333195.5380 595220.8337 731279.2435 1805321.8150 1445270.3950 1798973.8150 3340074.9720 4239943.4610 1464649.0550 1182949.7590 381752.7467 791899.2231 702050.4547 805039.2382 1514369.2160 1596479.3550 1545169.5440 1522104.9240 1845604.4780 1801794.4470 1106178.9370 774899.0044 1112602.2380 770759.6901 1026287.3470 1551458.8870 1339099.4730 1341911.8410 978361.0983 1097116.9170 DG(36:4)>DG(16:0_20:4_0:0)_feature2 DG 16:0_20:4 2364575.1650 2081290.5670 3578811.3360 3002597.9160 3621602.0680 3667716.3210 3983912.5740 4598244.0760 2736617.9060 2921520.5450 1120.4998 1067.2945 1172.9863 1130.9711 1171.4564 1151.2310 2751968.3600 2685833.2760 2759820.0390 2730696.1750 2781466.5960 2703036.4260 2744377.6240 2716392.8230 2741950.4560 4227885.7540 4817014.0480 2794537.0400 2895305.6090 2731962.7310 1926870.4430 2997924.6660 3271781.0390 2317174.4230 3394534.9570 2840575.0340 3034575.1060 3092839.5540 2285938.7030 3006749.9120 2472726.0090 2649087.4620 3459961.2880 3320859.3980 3498106.2350 3729629.1380 3885799.1670 2387433.4510 2479060.2300 1502827.6560 2316218.4960 1845886.5590 2006608.8000 2318902.6490 2714910.0150 2276186.0220 3048117.6450 2416061.6670 2001682.4450 2596145.5400 1789929.0310 2219005.8460 1702328.0210 2232279.9140 2654571.5910 3042392.4500 2039049.9680 2198244.0860 3277701.8690 DG(36:4)>DG18:2_18:2_0:0)_feature1 DG 18:2_18:2 605237.0742 634658.5501 692422.4950 667593.1813 852808.3622 2045822.6280 3628868.9260 4095536.3400 3457000.0200 1822452.7800 753.0789 760.8631 728.9787 813.9865 778.8581 768.6644 1416700.7160 1456345.0090 1452491.1680 1446078.7070 1433018.9410 1437730.0580 1382410.9600 1573156.4400 1367211.9620 2492372.8950 2294396.4160 1865436.9400 1735004.8450 995472.9502 871869.8808 467009.7431 595636.6933 805180.7764 2225190.1600 2305602.8190 1704026.0420 2126728.6210 1371860.4330 1008453.1780 603841.8176 676840.3540 1369168.5610 1239966.0560 1705071.7550 2771736.6970 2943443.7760 1424460.6880 1321912.0900 394773.0948 733982.2491 608939.2805 852410.1235 1240676.8960 1780027.4240 1747248.5100 1756508.7840 2003173.7530 1877787.6170 990775.0152 758965.6294 711386.1297 592080.3989 778072.9291 1746815.9510 1266820.7420 1297286.5790 982725.5336 1046184.3570 DG(36:5)>DG(18:2_18:3_0:0)_M+NH3_feature1 DG 18:2_18:3 92730.8865 113565.1849 195450.3360 130625.0942 139050.7607 329797.4443 431526.8450 647698.5666 601757.0994 324295.9838 580.0614 549.5014 534.9854 520.5344 499.5086 496.8995 219418.4560 211830.5665 211302.8547 193402.8124 232067.5386 254306.5894 192337.2090 228244.1621 200640.3098 591217.8202 539224.5601 355902.9354 347737.5298 161812.6252 179145.7149 98996.8161 129044.7658 107393.0526 326543.2853 304625.3616 282129.2066 316254.8590 237226.5250 148202.0329 78905.8318 88682.9975 197603.0208 191994.6604 196780.7656 333833.1809 369385.0571 195927.1040 153424.9675 63804.0761 122830.1275 115263.4840 153434.2663 212309.2210 265684.6792 380493.8907 226826.4338 329576.8947 233848.2723 188668.7502 116545.8754 136237.3758 104355.2794 135182.0201 196251.3594 166403.8265 127229.1165 125896.2637 183761.5773 DG(38:3)>DG(18:2_20:1_0:0)_M+NH3_feature2 DG 18:2_20:1 21179.3364 15083.2622 37908.3127 37759.6663 37565.8312 86161.9702 123409.2563 184434.9631 174240.0954 97896.0879 247.7845 585.1290 286.2887 242.0899 357.4962 319.7086 62183.2210 55652.5187 57787.9209 57637.9902 55333.3629 55694.6934 67180.7436 55405.2329 57434.2396 69512.3808 79468.8315 86409.5288 86804.6840 32986.0074 35127.1215 22953.0028 31994.0115 32489.0654 109031.0785 102870.3935 80275.2007 118075.9765 51023.8809 42814.1757 26278.5364 28106.4527 56195.1018 36452.3340 73287.3218 178573.8357 197682.0972 61525.0228 56715.6850 19775.3311 30153.9620 29997.4612 35243.9489 52926.7657 65739.0036 63830.7172 66033.1742 51008.2910 67877.1042 44814.5572 31317.0678 51348.3601 31681.9878 42837.3449 51942.7954 54299.1277 51367.4935 46351.7114 50999.3280 DG(38:4)>DG(18:0_20:4_0:0)_M+NH3_feature6 DG 18:0_20:4 5213607.7470 4391621.4550 6216770.7370 6048284.8630 7446484.9510 4507848.8890 8315363.8060 7133554.2660 3707336.3380 4111824.4190 1394.2969 1379.9600 1379.3617 1394.5094 1416.2957 1428.8733 4818467.4170 4418359.2790 5117229.8350 4829229.6210 4747094.4610 4933742.7980 4651506.9950 4769696.6220 4752472.8300 5673384.3060 5740483.0380 3898834.3250 4159645.6080 5796583.2410 3911513.3710 5730469.1900 6816229.9570 4754134.6680 3661977.0670 4393999.3360 5123267.9400 5098288.6430 3815096.1260 6848037.3560 4733808.8720 5607820.5260 8408073.9200 7612475.8120 5174431.1870 5368622.2530 5611195.7020 4114282.3580 3224822.7100 3240278.5570 4888742.5830 4310988.6080 4603346.0090 6112137.0530 3085394.7200 3870681.2690 4373522.0110 3216143.0770 3513852.0380 4764722.0690 3982476.8190 4758598.5620 3533527.9070 4755766.3650 4457645.1760 4663587.9900 3364634.3970 3862755.3480 4136777.3950 DG(38:5)>DG(18:1_20:4_0:0)_M+NH3_feature2 DG 18:1_20:4 984065.6794 748948.2982 1392654.0090 1151439.7420 1469010.7480 1809814.3660 2603642.1430 3085227.6060 2230608.4430 1698790.5300 2900.3245 3254.6451 3244.8477 3433.9636 2857.7115 3540.2367 1288485.3640 1268962.0700 1279767.7540 1314002.3620 1315586.1930 1313295.1850 1266093.1570 1287853.7660 1279663.5830 2383910.6900 2262785.0310 1479852.9880 1579284.0360 1175909.4600 755505.9388 906222.2318 1086486.7150 905592.3188 1900553.8300 1437738.7720 1468397.9900 1644125.9620 1333555.7130 1119064.5050 899165.1384 887866.2389 1535861.9600 1278812.5420 1627567.4040 2020809.1430 2394469.9530 1292497.6000 1094236.5640 643442.5368 1000763.8010 784214.2993 914303.5864 1270515.7000 1558452.0170 1129974.3640 1427466.0730 1376605.8220 1187091.7550 1083938.8460 869111.5769 965182.5665 711860.4095 869947.2330 1221760.9100 1246361.2670 1057346.3680 868305.0989 1186375.0800 DG(38:6)>DG(18:2_20:4_0:0)_M+NH3_feature1 DG 18:2_20:4 176801.6422 172847.5178 262768.0829 220128.3964 220529.5750 375741.9940 638504.7611 612526.9600 370254.5895 290795.7688 284.4178 283.3151 311.2666 323.7218 296.5161 299.7157 273266.5805 276935.6220 288630.3240 246226.6618 279666.3652 288275.9296 267179.1822 279480.5564 271648.4048 453920.7569 507877.1637 307295.6097 290449.7694 291960.6684 146279.4988 189089.1395 168012.9262 203075.4364 410253.7256 311519.2827 287872.7473 341480.8298 240251.4525 215309.6914 201682.3893 178106.5237 328886.3546 282191.2398 310262.9502 386351.3288 439909.2577 202740.3702 177775.1836 101134.4075 236276.3024 145168.4087 198061.4179 322623.0011 325280.3027 230835.5379 272683.8422 315115.1751 242200.2801 269015.8879 171318.8643 181245.2038 134659.8152 153450.4469 309821.2832 269550.5358 231306.8888 159548.4684 217971.8308 DG(40:4)>DG(18:0_22:4_0:0)_M+NH3_feature3 DG 18:0_22:4 35397.4984 29806.4570 47129.0453 50935.3088 57438.1394 49843.8850 127159.0948 101829.9044 66272.8178 53983.8659 445.2407 584.8855 690.8032 433.3836 560.7840 587.3329 52432.7190 55347.3388 49968.4274 49973.9636 56355.4066 53423.2518 51426.2063 56220.3354 50089.2425 55079.8610 54804.1935 58366.4333 50467.1927 53774.2273 28887.2893 39252.6243 42947.2351 39936.9321 54190.5381 49176.1617 72760.9507 74534.0752 54024.3471 45851.3421 39619.3567 43219.0742 68838.9276 55254.2290 67954.7424 66946.6695 82058.8334 49751.5366 34830.0067 28243.7537 53516.1990 44848.2476 35606.3234 58807.0542 29287.3493 38354.2601 49343.1523 44296.5294 40612.0646 36812.2522 31611.1694 46210.1243 32826.1800 40729.5038 52864.7845 63514.7558 50636.1077 52282.4528 52868.4810 DG(40:6)>DG(18:0_22:6_0:0)_M+NH3_feature6 DG 18:0_22:6 526761.0879 436992.1784 973328.4178 686068.3613 1236610.9110 280730.5255 461014.3342 411990.2583 181048.7377 185127.5222 228.2870 240.7264 268.7898 216.3257 240.9336 245.0588 444300.7359 443436.8509 460080.4556 412195.7714 451510.6903 448326.3950 473822.4697 428511.8778 437818.1637 345702.1636 322468.0851 201888.5642 180301.8974 604145.4666 354283.5888 731765.4388 923605.9208 555570.1071 239999.9948 216044.5613 326039.5745 262339.5796 196584.1410 680884.3799 565120.5675 640142.2376 989085.6945 992571.8015 370587.8281 350566.5073 577385.9099 189261.1761 168257.1317 272685.1235 511273.2904 361726.9906 380675.4367 655795.6425 155063.2955 157075.0614 333087.3118 140708.9849 117024.4327 432801.9571 270632.4786 377199.7592 252058.9823 368922.4149 197573.9391 260323.7412 125777.2292 149721.6561 252337.5595 DG(40:7)>DG(18:1_22:6_0:0)_M+NH3_feature3 DG 18:1_22:6 96610.3060 70142.7015 188956.1927 166561.5665 174467.8019 215099.2320 456862.6893 476833.4401 445074.2669 204255.2010 302.8412 273.6970 268.8529 288.9422 289.7791 269.3628 183726.1205 181899.4378 173339.9282 190404.1101 182363.9141 181304.3949 181696.3197 175796.6727 186445.8074 195351.6193 202073.7372 179079.3596 171821.6283 154787.6811 68540.0880 85970.3185 116559.4243 102420.0737 300467.6170 245405.6661 247572.1559 290210.6759 171519.7059 146998.9214 94204.4483 88075.3501 194016.6000 172159.8388 319980.7675 414681.7460 507370.7645 197699.4439 134083.5902 60714.1384 133862.1037 101786.7208 127127.4413 242499.0514 206749.5314 192047.4334 295181.8180 273761.9924 178530.7122 135379.4716 95240.5212 141928.3469 80359.1680 93785.6946 172077.5985 165469.1302 128590.3874 101576.7543 137900.6101 EA(15:0)_feature1 Pentadecanoyl-EA 487724.6223 213861.5442 201324.0191 524640.3951 550164.9383 246016.4740 373816.0205 185815.1528 300638.0859 302464.1310 860.5599 819.6204 754.5797 922.2037 609.9590 1019.0334 383864.6828 380839.3847 373352.2404 378354.9596 376764.3946 379702.4589 376139.5775 383230.7576 380191.5566 481.9351 721.1005 469.3655 1105.9083 550919.5367 336799.1296 532644.5688 309829.0454 482238.3007 484241.1155 437408.5338 330002.0688 289576.5363 433338.0450 562825.8400 325249.3321 421016.9644 405853.9581 319052.1032 255672.0696 478108.7850 300425.6164 352248.5809 463176.6280 567282.2862 1101266.9940 277895.5079 609996.8585 358533.3250 435269.1100 179922.4061 814642.0089 422629.0768 216650.2006 101071.7649 512666.9145 107876.5556 605330.0858 246119.5982 140606.1254 399084.5025 339872.7276 445356.0101 350742.2399 EA(17:0)_feature1 Margaroyl-EA 1617334.1840 924267.5548 779950.5706 2300220.1790 1752448.1460 868283.0868 2300199.9630 725669.5431 1180767.5470 938956.4252 500.8560 507.8964 682.2117 644.6315 517.9415 639.0564 1428580.6160 1452585.7030 1516058.3300 1276104.8300 1519699.8130 1530570.7400 1560283.4430 1343114.0100 1411963.7700 749.7134 1198.2935 877.4506 637.4343 1876065.9980 1201589.4370 1896969.7520 1171866.9780 1797010.1180 1965349.6480 1855679.4360 1170932.3960 1047862.7710 1543697.2200 2118289.5610 1190908.1020 1654794.4820 1604805.9870 1340521.7500 1126643.3930 2510832.1460 1080212.9020 1443530.8470 1820911.3710 2188746.9860 3694366.3740 844394.1697 2453707.4380 1393722.3970 1694395.7580 618380.9689 2812825.5680 1904969.6490 876933.0744 331677.0017 1660013.3950 410123.0239 2162552.0260 890901.2819 636415.5860 1544270.9280 1254718.7830 1991636.1770 1899692.2470 EA(18:0)_feature1 Stearoyl-EA 97282517.8100 53360625.2100 47636710.5600 111173762 102193130.8000 59309123.0400 98720254.0100 45045610 68192261.8300 66758785.9200 153971.3254 102226.9961 52312.3263 208885.1253 64677.2560 50916.8307 80423551.9800 80188788.5100 81571003.5400 84977393.9000 80136812.9700 80177679.4000 79845253.1000 82806464.3000 80640078.8600 143044.5249 88141.3050 74519.1738 86637.9129 98637055.6900 68777291.7600 106984328.2000 65040177.8000 105421959.4000 97766231.4900 92830733.0400 64083172.5700 68956152.3500 97416959.9800 118255163.1000 70628733.2500 72877073.7400 74538709.0700 76076918.8100 66533239.9400 110149477.6000 77411167.4300 81237536.6100 87835006.3400 106584475.9000 186905183.2000 57397578.0600 107265094.8000 72993053.6500 84848854.7400 33992237.3800 145302074.3000 98398754.8600 56422035.5300 24119358.7100 100893985.2000 23985146.6000 117770926.3000 54118517.1400 37566786.2600 88647785.4900 66058289.8800 103897758 85828683.0700 EA(22:0)_feature1 Behenoyl-EA 481458.8649 237844.1652 207488.6196 509815.5106 398492.9868 227247.0368 466978.3547 189738.6836 277431.6334 284118.6489 50996.6589 14131.5682 11421.6438 44832.2138 11841.9140 12029.0058 332615.8620 356958.5320 336342.1248 329923.9630 304924.2045 330222.7289 335769.2403 331268.9315 354382.8136 30609.9444 32511.5448 6400.0280 64012.5209 376032.7503 261235.9054 441322.1997 277523.3361 613466.2359 449702.1091 437588.0433 226337.3660 279088.6199 382825.9885 591537.7060 379511.5940 282891.8214 293140.0536 346003.4199 242153.9964 575228.5172 326607.2743 346248.8055 391876.7726 504765.4862 939362.5766 194697.7664 381123.9004 316153.6085 311017.2355 125820.0416 570001.2344 480312.9519 234821.0654 109712.8734 436439.9258 83251.7655 458849.7019 258314.3418 122323.6792 353758.1192 154150.9225 460967.6570 379174.6731 erucamide_feature1 13Z-Docosenamide 202815.7179 109852.7919 86754.6912 99292.1680 104853.8654 66662.3312 95914.3889 86393.5019 98880.4661 41872.7538 86916.8261 276339.1435 236202.3125 85381.6991 269128.4542 287125.3418 234549.0815 236874.1086 236850.4630 235663.0876 230598.7758 216693.8259 235351.0851 222602.7556 252549.0534 91565.8780 100374.2320 1545159.6440 1550461.6220 92242.3427 77421.9640 60698.0740 80144.5791 90216.7111 98437.0155 75571.9646 93826.1265 93960.9778 67976.7413 30846.4418 83409.2057 70297.5901 78536.9649 92374.1324 66508.7446 81434.6721 72221.9457 72735.6125 75676.8396 77595.9937 77103.5506 69239.0920 83342.4225 82542.9413 70968.4684 106126.9165 87614.9039 63081.8976 75153.5238 88145.0079 119897.7767 69099.7001 62571.8592 109555.4137 94258.3865 69515.4865 71054.1071 67497.5390 46036.8860 glycocholate_feature1 Glycocholic acid 319658.4312 753813.5969 269596.8084 495164.3067 169717.2877 627059.2807 459689.9992 154050.0694 116865.7120 34774.8964 474.5395 70805.3089 76018.3082 496.4758 39765.7855 32984.8927 262713.1759 255971.4721 261077.4295 253073.7339 262074.7715 275039.2487 240856.7907 268869.4636 257770.6164 24266.6912 23310.1502 64571.5478 60527.3786 108818.0073 180663.7315 401898.8138 372442.0590 530357.8918 23026.3673 295839.6718 56180.3745 58317.6050 49592.7776 22383.8146 383586.5885 347219.6970 224613.2440 439205.4975 54267.0504 426872.0987 457478.1380 50978.4648 97091.1320 142169.1286 260894.4996 679733.7816 348192.5509 690976.3092 9533.9359 12793.3176 29154.9786 76338.8325 197481.9548 544733.6089 201970.6029 782111.6196 460332.5284 610089.9286 118833.8404 610725.8974 57603.6472 100308.7048 146014.3082 GTInternalStandard_CE(18:1(9z_d7))_[istd] 496280.0051 575197.1771 556517.4308 533848.4443 491970.7037 482638.7742 442251.9081 325118.9025 369278.6926 419580.6622 1520.6929 1641.3424 1524.8796 1370.4652 1325.8209 2014.5602 472118.4715 425484.7134 528884.1525 445603.4020 471178.5868 444987.1122 507691.2189 504225.4972 421293.8667 418026.0955 394346.0498 462835.3112 488042.5600 547128.1681 437653.4847 459096.6540 508234.8378 571913.7165 412790.3712 351783.9130 498485.6122 398445.0689 403489.4443 560378.1133 563337.1228 510550.7674 458134.4756 559145.7086 487722.8284 402536.0963 385628.1493 370620.2620 427251.1695 523585.7908 418626.1754 508632.3850 468320.9543 551577.3158 453306.2304 504958.5808 433783.5564 393687.8883 419288.9688 589466.7115 484620.0049 576363.4345 581679.8019 555920.7921 485697.9629 491994.7468 502873.9903 508254.2041 471138.5943 GTInternalStandard_DG(33:1(d7))>DG(15:0/18:1(d7)/0:0)_[istd] 248152.0820 243609.3477 237536.8013 243364.7717 229523.6545 253771.4946 247585.1593 227377.7606 236813.2778 264963.2436 236.7174 234.9264 225.1230 236.7974 231.4239 307.2045 236680.0321 243486.1752 254838.8512 236796.3388 225688.1459 232744.0549 234156.1090 259982.6366 236972.3162 234892.6791 228592.3505 242698.6532 237399.2612 225657.2438 223882.5993 238167.5886 245328.3107 237457.1298 230263.9502 234359.7522 226302.5287 239275.5392 240353.2489 233189.7505 238275.6861 215482.4932 234592.3638 242953.9155 249226.4159 253073.8214 215407.4066 242259.7206 245647.4856 227565.6643 248298.7030 230220.9129 238753.1268 241226.4377 212069.9252 236184.6163 245995.3640 226939.6516 238233.7048 233826.0881 241656.4080 272260.6190 240566.7166 231701.2448 237036.1529 235079.3954 246553.2221 229040.5262 233575.4115 GTInternalStandard_PC(18:1(d7))>PC(18:1(9z_d7)/0:0)_ and_PC(0:0/18:1(9z_d7))_[istd] 2147106.7230 2167311.1940 2344411.7300 2404961.6580 2342279.8600 2370924.4180 2580013.9590 2350524.3870 2279896.7380 2279527.9530 499.1544 907.5232 1104.8124 481.7696 958.2025 781.8387 2300087.0820 2233268.3170 2216162.4990 2226179.5500 2286365.5670 2280207.5320 2211223.4780 2278085.6850 2252253.0970 2233250.9170 2164025.8700 2220425.9370 2132222.9730 2307807.3050 2181579.1000 2146117.2700 2264398.0170 2268733.7220 2297096.5870 2177484.8460 2283959.4350 2344175.9090 2167641.5940 2521240.1150 2255643.5190 2204484.4470 2317251.5820 2314693.9910 2283331.9200 2398716.2750 2357292.0910 2304073.2890 2222622.4550 2122790.2920 2129691.5830 2295999.5820 2184268.0570 2347495.5300 2161529.9710 2233320.3160 2291520.6450 2207495.4730 2240253.9520 2295763.3320 2215325.2360 2567284.3810 2232108.4430 2250541.2030 2400356.4240 2430614.5870 2236953.3160 2184108.9190 2228420.7030 GTInternalStandard_PC(33:1(d7))>PC(15:0/18:1(9z_d7))_[istd] 44662322.4400 48845434.7100 45352844.9400 44489740.8900 43240383.9600 41813303.6500 45613935.3900 40232491.6100 45890247.3600 41984410.1000 767.9639 678.9498 953.3138 765.2295 743.9998 1267.9037 44886783.7900 45468905.9200 41483154.3500 43155485.6700 42963242.2800 42823472.2500 43058658.1300 44942755.7000 44782914.8700 37154315.9000 41532025.7800 41161153.0500 44092556.3300 44005537.0200 49610988.7500 49249090.0400 46710335.3400 46125880.8400 41281991.1400 44906800.1800 38226942.0600 40684528.7800 43024628.7600 48407136.2300 52960155.2200 45707438.6600 45533544.8700 44857233.7800 39426955.7000 46196474.7000 38631967.4000 47981109.5300 50371991.3100 48080771.7900 47669936.1500 44258979.4700 45880939.9300 38489654.7400 46361347.5000 43917376.7000 39309202.4100 41470841.8600 45454047.7100 46326748.4200 46947857.7600 47533607.4600 48513408.2600 40404663.6300 47809826.3100 42459785.8000 40148395.0200 38836956.9700 39999069.2800 GTInternalStandard_PE(18:1(d7))>PE(18:1(9z_d7)/0:0)_and_PE(0:0/18:1(9z_d7))_[istd] 142861.2048 156772.3220 148933.8015 153496.8403 141651.0685 163621.9711 159078.2563 151961.8939 147844.0207 146793.4590 330.9584 323.0080 363.5517 322.3721 353.1981 342.3060 143755.5627 143145.1593 144722.9136 138886.8224 145971.2913 143737.6572 140825.0132 144363.9041 143665.3047 143296.6411 148710.3556 153822.8599 149598.4130 150586.8494 150928.9564 145148.7945 147260.9982 154957.2567 140246.9380 143612.7795 143101.6293 148907.5401 145774.0798 150050.5139 152823.3724 150607.0079 146094.1356 152608.4957 150658.0334 147615.2359 147335.8249 144903.6188 150692.6065 142397.8209 130658.7359 147715.8398 142000.9363 150137.9584 147901.2628 151317.2882 139807.1563 142509.2490 151075.3539 160320.3715 140850.0229 170325.2154 146242.2435 145780.3111 159444.2685 148122.7025 148991.9213 136566.2250 152249.8887 GTInternalStandard_PE(33:1(d7))>PE(15:0/18:1(9z_d7))_[istd] 274889.3497 274868.7372 290076.9374 295469.3563 279703.1679 252456.0712 279234.5088 269174.4431 266400.1822 278179.9129 465.4366 459.7147 452.4934 489.5848 481.0954 479.2036 267045.3429 263769.8647 255109.0200 262944.0155 266321.4937 271386.5111 268782.2384 270302.3196 251661.3772 232945.5704 255666.6324 250484.4887 248630.2499 272445.4504 272641.7215 290662.5391 269347.9894 258613.4063 287084.0365 270640.4448 269092.5559 274825.0460 247479.4885 281014.5852 276255.6092 248156.7117 277490.5380 301544.5410 274945.0949 282339.0429 280406.1315 257970.1781 249849.6645 252229.8083 273227.6372 275478.6481 265845.6802 283874.7496 247296.1486 251209.1949 269873.6797 261021.3315 259795.6373 267741.7873 267357.3518 302183.2886 273936.7729 260248.8484 255814.4960 264812.8357 263803.3068 250016.8990 259520.6800 GTInternalStandard_PG(33:1(d7))>PG(15:0/18:1(9z_d7))_[istd] 416744.0477 463791.7740 435566.2345 467836.1979 441170.0855 465372.1048 432044.5146 427674.7253 435116.6185 394847.3772 364.2522 334.4016 321.1797 351.7454 339.0460 333.6307 452757.7655 423983.8322 431329.3992 416399.1600 422370.1921 417759.3896 426937.8547 414396.3949 462218.8377 401168.8153 380385.2301 398077.6399 418114.6812 456384.5640 477245.2275 417233.9135 472500.7393 465050.4362 399715.7763 362245.7762 401920.8406 374541.8325 415442.3895 459908.0198 436189.7768 441159.2235 433866.9063 427857.1113 415078.2925 371127.4538 412343.0595 412572.3903 433191.1153 474293.7734 451144.5976 455720.2856 480142.1313 316443.8822 401807.7546 438720.9698 398870.2994 417800.7631 512018.8116 461468.3836 413560.8912 464372.6461 449378.0246 434502.6173 425394.2883 398682.5758 372051.4312 421649.5762 411021.5552 GTInternalStandard_PI(33:1(d7))>PI(15:0/18:1(9z_d7))_[istd] 49967.0106 110203.7878 34426.6937 115375.6249 37520.4509 61646.4482 69122.0332 54697.6414 80243.3368 53450.5911 292.1450 282.1886 327.9729 330.9012 331.0676 360.5710 56613.4973 59207.3598 66593.6647 67087.4601 60171.4415 56071.5384 64044.4791 55276.2536 63901.4563 18705.5157 24552.6239 60951.9032 55099.0878 56664.2249 77786.2454 34819.3336 71446.5297 99281.5053 38822.7637 63476.6127 52538.2846 68697.8491 91302.0112 43940.9289 105959.4683 49236.9187 73622.9117 54519.4031 92776.0345 63591.0239 50315.2380 46650.4610 81296.3761 38921.3386 53803.7554 66741.4573 93781.1746 107937.3847 51801.4587 85538.6362 57369.6366 46535.9978 119772.4639 97873.0613 34815.4615 65771.2111 75321.5382 52977.2983 55957.2017 36613.0119 45871.0179 33885.4777 49787.1107 GTInternalStandard_SM(d36:2(d9))>SM(d18:1/18:1(9z_d9))_[istd] 2618975.8490 2567186.2450 2538632.0410 2792531.6360 2749417.0670 2634641.9480 2423217.7300 2507637.9220 2573705.9910 2612981.4950 284.9925 281.6834 276.7556 297.4027 278.2221 284.0593 2492842.1610 2449892.8980 2654577.5630 2367176.7660 2406374.3980 2409208.9520 2546143.3540 2439674.5340 2547335.0700 2350512.4280 2353990.8880 2379282.2410 2479210.6890 2690312.3430 2812332.6510 2691848.5840 2754696.8780 2897977.1860 2350073.1630 2279881.7130 2496466.8180 2272267.1400 2512547.7860 2747781.5360 2503683.2510 2519304.0950 2570725.5840 2552967.0840 2346554.3150 2366263.2770 2364087.8160 2531807.0050 2704426.0940 2813380.6060 2647393.8370 2456618.3770 2713168.2180 2495678.0040 2558814.1580 2675485.1650 2427767.3160 2469774.9420 2615352.5090 2806265.7240 2526928.3000 2807274.4070 2631700.9380 2579523.7100 2837112.2480 2525423.6800 2227377.6170 2554218.2240 2501154.8160 GTInternalStandard_TG(48:1(d7))>TG(15:0/18:1(9z_d7)/15:0)_[istd]_M+NH3 5569625.4260 5373231.0710 5315082.1890 5376009.8660 5511606.7390 4943084.1390 4621588.0010 4587836.3930 4256857.5020 4467491.7670 407.3541 798.1715 330.5122 1034.1921 617.0485 1343.1884 5199618.7080 5060351.2160 5185411.2050 4923839.2790 5039333.7240 4770330.5670 4817740.8290 5094638.8040 5433958.9720 5001386.2300 4752441.4810 5306362.4990 5515554.4580 5560156.7960 3599941.6990 5288294.6620 5436227.5110 5337054.1750 4561617.0860 4575080.5860 4579752.2900 5079682.8410 4286004.9900 5514453.8380 5931679.2410 5334061.0910 5188260.5130 5208306.1740 5504620.1650 4993251.2380 3679604.3890 5128389.8280 5272458.3200 5773084.8570 5579588.1040 5508192.5480 5723664.7000 5399060.4120 5268045.8100 5478467.9430 5198477.2600 4448503.0690 4456543.2980 5602076.8950 5771725.5620 6190996.4020 5471838.3090 5447646.1030 5523389.8780 5442273.5720 5636090.9420 5473387.0290 5389356.5440 HexCer(d34:1)>HexCer(d18:1/16:0)_feature1 HexCer 18:1;O2/16:0 116069.5584 84857.2130 142059.0405 136094.7663 167124.4659 63318.8232 100532.9987 98986.7977 91265.8672 86233.8787 368.8155 351.2116 343.9534 355.1866 349.5706 347.9982 120640.1262 106188.7041 100273.8403 107620.4233 110093.5164 100894.5851 108287.5198 107456.5291 116879.6307 93653.0959 91559.5759 62140.5546 76971.4947 140636.7734 91921.1853 125970.6875 102823.6367 143107.8753 81590.2983 95078.3894 111183.4583 97545.6429 73444.9131 176195.1115 109158.2722 130551.9159 182061.7969 170168.5434 123457.7530 115250.8339 115488.1688 92999.9438 77066.4324 112028.0842 126267.6640 99941.7055 120645.6513 154309.3148 62513.4679 77366.1923 114244.9642 69251.7862 74117.2075 88724.1039 137466.8514 112080.6068 101604.1631 84156.0950 76210.7609 84117.7715 62084.7834 72459.9438 81123.8904 HexCer(d40:1)>HexCer(d18:1/22:0)_feature2 HexCer 18:1;O2/22:0 470676.2745 461137.9080 764096.8443 475547.7104 673338.1539 117230.5731 134446.2072 140780.6315 132658.1501 145838.3994 717.4061 714.6796 950.0683 506.7457 531.0693 978.4906 408830.1741 161444.1028 353837.1078 365067.3757 339120.3175 342352.9698 321002.3106 296991.5259 324361.8692 157160.7743 122471.7436 160062.7560 116986.8383 569197.4305 349946.9634 409072.3347 600708.4725 586349.5838 135320.5475 114497.9329 235383.2584 166956.4385 139882.5520 717508.4751 364412.8629 433887.9590 632218.7753 681276.2056 150799.1302 143343.3182 229050.7112 128292.2769 138258.9637 495299.8884 400618.9811 491655.3219 336443.3093 558486.3363 109634.2600 136482.0290 136204.1778 117391.5829 132645.8130 467960.3849 409357.0291 494503.4537 479728.3967 308423.3593 106845.7958 164049.6628 146330.5554 152879.4428 129526.0746 HexCer(d42:1)>HexCer(d18:1/24:0)_feature2 HexCer 18:1;O2/24:0 1056142.9710 904636.2678 2029641.1030 1382541.8950 2053854.3270 241888.9933 374924.9814 310596.2018 292798.6033 365241.4155 604.7162 606.8937 829.9712 693.1208 692.6814 794.6949 750160.0362 746007.3494 741353.5478 786970.8241 825088.3666 739540.0207 854280.8815 654705.5162 766563.4170 315652.8872 287008.3959 253526.6520 274148.7339 1476618.9140 1098643.8090 1198873.7720 1388315.1600 1344296.8750 345341.7430 252672.6934 392184.0557 410957.6477 295635.4447 1811865.5700 1174743.1280 1157274.2420 2049600.5250 1657305.3580 327281.5599 304675.0985 458354.2000 289281.8467 305805.5384 1261336.1970 1103026.7890 1011023.5750 1120574.9800 1969413.1330 239378.2987 328427.6618 334655.4432 257294.9515 308701.3529 1110198.2230 1027063.4520 1671347.1950 1282805.4630 1334950.3530 263952.9869 379935.8115 331731.7468 297241.2749 400094.7469 LPC(15:0)>LPC(15:0/0:0)_and_LPC(0:0/15:0)_feature1and2 LPC 15:0 104468.0048 83301.4323 108829.3608 106286.1184 175572.9835 108685.3240 100558.6686 117866.1842 106022.3954 106274.8832 136.2383 6261.6809 5181.4562 130.3389 5048.4404 8426.7909 112344.9779 108378.0110 106314.1785 91129.2187 111383.9377 108633.1159 106018.3354 103033.5959 111931.4098 104641.0361 103724.6598 107470.6501 107111.0714 105908.1057 59703.1745 72022.1147 101280.4954 100530.3581 115521.0662 101032.3308 109327.6445 114954.2054 101769.9366 107424.7534 93416.0690 95154.4313 111515.9688 89563.8158 116736.3173 112269.2850 110199.9146 124327.5932 95784.1638 68362.5482 316710.4976 104572.1590 114719.8634 111461.1886 95676.7396 115454.1180 120750.8921 116923.0040 168107.1405 80159.4083 10788.5673 127440.0097 100061.8837 109983.6204 118513.0190 137826.7615 116310.6417 182889.8139 141230.1436 LPC(16:0)>LPC(16:0/0:0)_and_LPC(0:0/16:0)_feature1and2 LPC 16:0 7332037.8780 6702375.3320 12394460.3600 11574124.4700 12182903.6600 10593207.1400 13822808.8700 12216620.6900 11202133.7300 10408087.0300 3496.5269 1934.8947 4063.6929 3569.6870 2132.5773 4719.2532 10449793.2400 10976928.9600 10147166.9100 10089621.2000 10392741.3800 10458879.6400 10363221.8700 10723667.7300 10452863.7500 8345460.6220 8115419.1970 8305695.9740 8236844.9060 11079322.2500 6975568.6760 7835407.6950 8492394.0440 8092549.7280 10836824.8800 9155174.1080 12509046.6600 13819358.8100 9778610.2120 11177968.9000 7600449.6830 8633979.5380 13126631.8800 11600905.8700 14643330.0100 13891697.3500 15755266 11550604.8900 8854105.8660 7370156.6750 9872964.9360 10112254.8900 8631941.9290 12574537.8400 8102367.4190 10958161.1100 11548421.4600 9321515.0900 8719863.4840 9520868.0720 7600231.5540 12141551.0600 8106638.8440 9720373.5830 11782236 13259647.0600 12728280.1500 12078137.5800 16542386.2600 LPC(16:1)>LPC(16:1/0:0)_and_LPC(0:0/16:1)_feature1and2 LPC 16:1 44225.4636 40171.1845 76986.3571 65488.8543 60821.4653 57865.5215 79634.1383 64298.1343 51079.6572 40681.7051 244.4559 1032.9666 1066.0940 280.8996 1059.2017 1191.7809 47643.3024 51425.7921 44762.1876 50704.0330 41162.9847 50327.3604 39135.2194 45144.1453 56533.3595 52669.2500 59448.9724 42245.4284 60162.0505 56842.6803 29942.4124 40747.9350 44970.2036 32214.9643 50709.3724 40491.8589 49671.0437 68483.1512 25567.2263 50639.8169 38840.2847 47165.2506 57970.5645 56083.1764 65376.0292 65883.4423 68632.9606 75364.3513 37276.6515 35507.7048 40650.0940 46404.7630 40812.8496 53986.6832 35986.3140 55401.0897 49347.6598 34700.1272 55377.9469 76614.6358 33488.1145 92131.8364 45876.9285 36402.9989 51030.4081 85755.2010 60862.6320 51878.5926 125309.7971 LPC(17:0)>LPC(17:0/0:0)_and_LPC(0:0/17:0)_feature1and2 LPC 17:0 205892.9822 164117.9312 276874.3216 274005.3658 271971.3323 256476.3000 312213.2685 305917.7258 261215.9344 235697.8885 339.5529 437.1830 419.7008 345.2513 423.6889 423.1562 253420.4880 253234.8052 247196.2919 245871.1410 252167.7030 253864.1780 253080.0756 249233.7305 251113.9448 276415.3512 265674.9266 267230.7150 260642.1594 233088.2472 157299.1704 200177.6547 287409.2335 219132.7598 255979.2184 236255.9314 297256.4894 342849.3705 220957.3785 297706.1741 217956.1712 224448.8771 333202.6698 341504.0132 337129.3000 347126.3192 337567.6843 303898.8990 217630.2282 159967.1848 211731.8827 238990.1065 194996.4981 296944.0697 218082.5643 281264.7487 284644.1774 208089.9069 202612.3220 214668.9303 201712.9905 282090.7362 199476.7677 247222.0595 305251.1058 316089.4061 276891.7339 267446.8892 349227.7115 LPC(18:0)>LPC(18:0/0:0)_feature2 LPC 18:0/0:0 21775497.0800 21752746.9700 31564395.8200 31975554.8100 31432966.5700 19575587.0900 23960209.1100 23208665.7500 22417905.7600 20516213.8800 1421.7839 1069.6926 2247.9557 2667.1235 1176.4818 3759.1619 22736469.8300 22735737.9400 22840387.2400 22187537.5500 22485272.9100 23309329.0900 23617689.0400 22074719.8300 22487740.6900 15746074.6000 18099828.8300 16155706.9000 16082679.7900 31125220.6600 18454747.6100 21491814.6500 30181737.0600 22277140.7700 21044689.1000 18212424.9600 27471475.4700 26203978.0600 19566796.5100 38077227.4700 23644938.3300 27457419.3800 40960474.5900 40187410.3000 31398282.4500 27519309.1500 32466716.7700 24800955.7100 15775763.1600 15346244.7000 21039105.1700 24379803.8200 22721498.2300 35188871.0600 14678124.9700 19083754.5200 20321025.3800 17970507.3800 15665063.0500 24295737.7900 24379951.6700 30264903.3900 19497729.4100 26026578.0100 23849683.5000 19433120.2100 19268974.0400 15299858.0600 24017870.7000 LPC(18:1)>LPC(18:1/0:0)_feature2 LPC 18:1/0:0 673914.9660 549328.7782 1682404.0790 1244708.9470 1417104.6650 1420708.9050 1376604.8520 1318606.8090 1018505.6020 1025420.7180 406.4360 972.5329 875.3307 390.8659 813.3254 821.3242 1050011.5630 924909.8085 930464.1705 928693.7890 1155168.0180 1013344.8570 880665.7255 1077539.6840 934113.3392 1013571.0140 946765.1943 1087792.3890 801127.3536 893274.9335 556836.1588 840846.7250 868909.5009 847182.6693 1033158.6840 802974.7462 1195029.4610 1090598.2910 968413.9397 983169.1492 668171.1944 660753.7978 1369421.5980 1312885.0530 1138326.5670 1346197.8260 1544434.3880 1103595.9860 781416.0944 851011.6736 1180488.3560 887534.2037 767435.8555 1578539.0230 786741.5432 839185.4538 974672.1787 752890.9342 902982.3529 1193915.4460 699267.4009 1871869.4050 791124.1825 1311208.9730 1279787.6790 1260371.1370 1064448.7520 1059608.5400 2000423.6460 LPC(18:2)>LPC(18:2/0:0)_and_LPC(0:0/18:2)_feature1and2 LPC 18:2 637858.8675 707906.5688 934501.0519 1332593.7030 983668.2111 818181.0865 1209191.5280 898007.9562 888524.7508 819069.1665 415.9526 9182.5949 8845.2429 374.1804 9165.9117 7841.3319 876691.8939 920836.5723 904539.9333 899993.4172 884449.2275 875750.1676 906420.0715 903806.8750 896660.6605 936268.7243 883119.8201 1064420.3440 922507.2621 793135.5138 600287.9515 531166.1763 793459.3077 763472.5717 722999.6079 594321.7186 1227840.8740 1072089.8790 726861.1071 1036359.9810 705178.0934 739877.5835 1055826.1180 1189583.7350 952606.9081 1415106.3140 1482486.5060 1088716.2630 726683.8901 685209.4219 631430.1149 1021201.1050 826799.7439 1349978.8260 713661.8999 971096.8435 815816.9360 706913.9367 874521.7839 954932.4521 688319.7433 1480884.1740 994012.0359 1218595.9340 948572.6821 1247238.9320 1113507.1120 1084731.1340 1542487.8510 LPC(19:0)_feature3 LPC 19:0 102717.6232 87853.8770 143529.9073 136076.0091 155237.4238 86855.1588 159345.1675 193887.6786 112346.5373 102960.6455 382.0825 365.0050 354.3496 364.2282 369.5085 369.2123 134296.8751 131771.5678 89453.4564 177291.7272 119844.4747 121662.5332 123790.2501 127489.7956 134372.8364 120625.2353 98746.8479 104220.3996 99818.3625 123877.3342 84968.8411 111304.4382 153225.9868 123141.0530 187672.1822 97902.9868 208849.2143 218653.8994 98079.7165 151159.2994 119131.1818 124760.8623 182079.2004 188461.7708 241521.2352 144931.3945 141829.8566 137067.2593 83859.5847 100534.3647 133274.1304 126151.5580 117164.8470 167011.0816 84442.0207 137049.5775 129358.2467 87340.3016 92714.9129 125305.5751 125800.9989 147637.8720 110684.4772 135533.4573 132089.1259 136661.8694 109899.8912 172313.2082 114406.2146 LPC(19:0)>LPC(19:0/0:0)_and_LPC(0:0/19:0)_feature1and2 LPC 19:0 44295.1981 33990.7443 64169.6026 84739.3081 61406.0798 62814.7676 160691.1685 118257.4588 110244.6649 95070.0590 269.1386 229.5540 242.9850 285.4029 271.1285 259.8867 68383.5508 50868.0687 87103.3006 70177.6033 66362.7908 57619.6903 57080.6818 69584.4590 73466.6779 61421.1464 95585.1102 92969.6558 73634.7332 68346.1089 39842.4912 56564.9292 61777.0415 53253.4171 106081.6781 92068.8171 120574.1616 132308.8620 90975.6092 70053.0875 46076.4505 47643.5552 92234.7385 85714.6861 123714.7124 147062.0631 137393.6344 137937.0312 79318.8843 40514.3648 49689.5102 58049.9109 60918.8691 81213.7840 54889.3807 70977.4579 127022.5034 83134.7486 89018.2415 47477.6089 52587.6502 61343.3076 46665.2178 53511.2525 66255.4661 126651.3890 75324.3397 76238.3249 117376.7935 LPC(20:0)>LPC(20:0/0:0)_and_LPC(0:0/20:0)_feature1and2 LPC 20:0 50545.4572 42650.9096 78334.6277 70337.0828 76835.4612 43084.4854 76684.4101 67667.0388 60561.2075 63800.0340 596.3230 684.2154 665.9507 656.1650 742.6139 755.9274 56504.1662 62374.6786 58081.5121 57822.3337 59789.7752 57313.4051 59624.7639 55054.4352 61733.1226 60801.2185 55959.9713 59965.2324 51697.3725 63526.8996 50662.7396 48423.2938 75878.6996 58334.2906 58165.9425 49473.7383 65981.3693 80147.5436 50132.1033 68152.4861 55429.5546 52543.4125 85568.2724 82343.2762 86556.4475 87581.7150 76209.4686 75185.8349 42390.5961 41034.1298 71295.4284 60903.1165 61233.1525 86357.0847 45747.5346 75327.4791 63136.4551 49288.9858 46151.2424 63300.8222 55867.7752 83300.5736 59975.9392 72675.3666 69741.0239 69009.2876 61312.4299 61560.2808 86507.8391 LPC(20:1)>LPC(20:1/0:0)_and_LPC(0:0/20:1)_feature1and2 LPC 20:1 59117.3824 53879.2822 145754.2017 110507.4899 109009.6193 82017.4277 100850.6357 88345.8225 67782.3623 68083.2820 289.7480 242.9150 236.4676 278.4670 246.2866 235.3556 83938.9631 90621.5164 80311.6852 79265.1323 83621.3871 78500.2631 88164.5261 82123.7117 86786.0361 90426.8069 88332.7557 93933.6459 85186.6018 84444.8916 52605.2403 72506.6518 87704.9432 66906.8332 71167.1808 66505.4342 115497.3299 102040.4602 68919.0869 104143.5980 71443.1382 80257.9265 129422.0092 116809.6675 112720.2082 144530.8294 107884.6388 116399.1315 58769.4818 51187.4599 71821.7945 74348.4584 75891.2547 133454.0036 59873.8712 79704.2759 94937.2062 59631.5938 68196.6188 98588.7296 76284.7372 157462.5642 78793.5439 92409.0587 84419.9335 97668.4123 78978.4183 59473.8136 99644.6668 LPC(20:4)>LPC(20:4/0:0)_and_LPC(0:0/20:4)_feature1and2 LPC 20:4 1193847.2170 1025085.0800 1587370.4970 1915897.9040 1745024.7050 2162765.9700 2598915.2360 2424428.6650 1532659.0580 1629589.9680 279.8592 2226.8618 1301.7511 287.6400 1478.9062 2125.4675 1680815.8660 1631113.5560 1563115.6350 1630769.7060 1522165.8960 1615995.1010 1688264.1050 1572082.4010 1660641.1000 1603231.7270 1795215.0490 1646095.6520 1612397.5330 1590670.7420 977367.9428 1125147.4190 1785138.7690 1352456.5920 1673332.4620 1343551.5310 1884127.6980 2081726.7930 1506595.4180 2120898.3560 1357931.5510 1487265.2900 2365373.7170 2387536.9700 2154253.3620 3039917.9860 2624940.4670 2115483.7310 1284159.2410 1105158.0550 1202236.5570 1308364.0170 1237951.8600 2195177.1840 1146390.8340 1267260.3250 1785456.4340 1172809.0810 1253727.7250 1386477.1210 1258862.0420 1871349.1130 1211089.7840 1571539.5690 1702188.7620 1906461.7020 1400933.2740 1403116.1430 1916322.2800 LPC(22:0)>LPC(22:0/0:0)_and_LPC(0:0/22:0)_feature1and2 LPC 22:0 33953.7543 32189.9123 41220.6983 48280.4747 49828.5392 23763.4106 34776.6456 31325.1000 32337.6144 30463.7103 205.3725 265.1910 254.3309 205.1982 257.6561 254.5063 36687.9472 37983.9642 34794.0330 35653.3939 35616.5291 36994.1626 36981.0378 37098.7765 35858.3654 26850.0295 27794.5116 27722.9465 27178.3898 49918.6339 36652.4689 34218.6218 43318.6389 36231.7031 32840.2131 26870.6770 39609.2420 41381.0685 30376.6007 49987.9265 31781.7041 38277.4271 50459.9524 57230.5101 40503.0132 35284.4402 40575.7811 38220.9607 24579.9352 28800.0749 51790.3288 44863.4636 39887.5257 60166.9587 25175.4179 34132.6808 38303.2481 26919.3906 27756.0748 38645.0123 35029.3679 49616.6881 34651.0917 41175.8744 34349.7766 36797.0871 34553.3461 31994.2805 37901.7215 LPC(22:6)>LPC(22:6/0:0)_and_LPC(0:0/22:6)_feature1and2 LPC 22:6 182309.0543 195967.0072 273626.8728 368747.2629 305254.0189 286089.4851 345891.5386 334295.8576 205792.4610 200672.9354 254.2822 1177.2365 1080.6312 215.5808 913.9666 977.0373 263229.0115 211117.2436 239453.1420 234639.0531 237018.7868 206967.8107 248595.7288 224733.1988 251939.2125 237028.5818 202031.3768 210273.5445 173750.5990 301026.7749 206527.6962 140489.3542 358094.4022 242101.2167 230197.5378 138523.5457 291907.4901 301264.2984 202998.2740 294720.5556 217544.4879 296343.1987 397959.9876 384708.3677 276422.6138 391250.9082 415538.4485 249346.6682 180226.8327 250079.9920 290260.1103 300474.1402 247353.5197 507462.6082 147216.8994 163979.6979 250855.2731 152497.8274 178813.3509 236852.4322 234768.8639 421294.5845 255253.4000 321856.1659 152238.0326 239469.3466 165730.5916 136527.6850 194385.6379 LPC(24:0)>LPC(24:0/0:0)_feature2 LPC 24:0/0:0 78323.1033 68141.8102 102796.6515 118781.7262 114031.6295 57373.3997 94932.2568 79474.0453 78196.1768 78711.1310 413.6013 414.1487 413.7937 428.9205 456.5187 433.3669 93104.9315 91551.7202 88536.4040 90878.8131 90102.5641 94823.5671 86638.2165 89941.5866 94447.1572 75105.3187 77357.5851 65254.2805 65122.1761 133108.9523 67756.5057 74707.3181 98745.4861 86005.3534 82335.9170 71363.3471 108638.3457 109639.0820 79570.9413 117550.5640 76143.1281 81894.6617 133976.5072 135801.7062 109505.2462 92958.6158 106777.5776 91555.3187 59392.7452 58917.8343 107663.0508 102842.1538 93983.5702 146457.6897 57445.4782 93290.5185 110302.7239 65683.8661 72811.4044 97573.1738 72474.1584 129505.4295 81953.2746 97792.4716 85595.1550 101679.3173 93646.3422 88959.2635 105771.2662 LPE(16:0)>LPE(16:0/0:0)_and_LPE(0:0/16:0)_feature1and2 LPE 16:0 215223.9744 182542.4708 312637.7735 299828.4691 355718.3975 339800.1825 370461.7193 298962.1817 261945.8250 247141.1896 669.5454 776.1246 746.8415 656.3625 721.9766 731.2829 275877.9160 269801.7994 273218.3582 275960.8441 273028.0449 270389.2022 268677.7636 267159.6762 281997.0329 177864.4472 175610.0153 176006.6483 171299.5315 305394.3807 201343.8379 208215.2241 242364.1045 222585.8274 273178.9303 233463.8182 326209.1070 319570.5320 216221.4175 343314.4069 230049.7523 254734.7354 369686.9645 311548.0802 378738.4792 352160.5430 417476.9655 331111.4231 214948.6626 199233.1658 273510.5250 226426.3719 193929.4098 388122.9786 200122.5909 252825.2201 325455.1651 240082.4220 194104.4108 246265.0759 217205.0030 379333.1467 198647.7786 295863.8728 302609.0267 337090.2273 279630.8329 328111.1459 447312.9860 LPE(18:0)>LPE(18:0/0:0)_and_LPE(0:0/18:0)_feature1and2 LPE 18:0 415145.3447 328997.5393 447328.7532 477290.2744 602504.8579 402122.7837 463529.8535 358356.3358 344409.1353 312865.1759 321.5630 276.6538 276.4528 304.5068 270.4700 264.4589 430115.1914 414327.8257 417515.9215 416236.9514 425405.2019 403627.6324 439171.0463 394167.1746 437008.0868 234412.1864 242851.9149 224352.2385 217730.0958 539808.7998 329755.5535 418692.4052 477584.3389 432697.5589 380852.7612 327277.6614 458531.1350 421485.0508 273259.7383 707273.9407 429803.1794 495138.2877 683044.4613 635286.6006 532748.8037 429845.8925 538977.5464 449337.5935 280406.4782 343657.7119 457375.8727 362361.8607 325215.7189 640148.5427 257660.1834 349111.2389 434845.9533 323051.7981 267709.1046 411966.2637 427542.3526 579628.4956 335950.6732 520247.3445 455319.3786 465329.3688 361633.0791 486571.2306 646123.8277 LPE(18:1)>LPE(18:1/0:0)_and_LPE(0:0/18:1)_feature1and2 LPE 18:1 23424.5350 17333.3087 54030.5812 42592.8956 42494.3023 58534.5353 55852.9659 51330.5610 34008.4989 28038.9917 391.4835 404.4842 411.8452 381.7275 422.5311 405.4536 36638.8677 35431.3616 35272.3061 33732.2387 38105.2887 35309.6021 35494.1905 35396.9090 36101.7104 34015.2695 31878.7851 36262.0290 32431.2650 29037.7771 17080.6641 28397.2323 24368.0557 22378.7042 30904.8900 29131.7075 37119.5634 45383.7516 24306.7088 40412.9472 21727.4380 25153.7771 38340.2334 39806.5909 42585.1068 61017.6317 47878.9850 42481.0543 25197.7257 24060.5704 31972.1401 22916.0687 21790.0609 53170.9129 27120.9805 32251.8470 37454.0009 29666.9502 21172.6557 32711.5101 19925.2826 57451.8715 26049.8964 33623.7560 47007.1796 48183.6508 34834.1473 37515.4509 63114.5288 octadecanamine_feature1 Octadecylamine 25451.8788 25020.8793 34755.6838 27033.1976 29437.3973 24425.2130 20665.3841 20319.1585 27556.2102 17166.7969 167.8612 153.5860 142.4561 151.1569 128.1381 126.5890 27250.2952 25826.1746 20346.3265 18912.9886 26566.5987 24765.2102 27179.6314 27602.8892 20315.0038 25093.1932 21289.4686 24970.6338 20492.9350 32248.8165 27719.3613 26680.8407 38700.0212 36062.2746 24374.7948 13758.8125 21102.6042 22056.7820 16641.1011 34729.6996 30846.5971 31966.0027 35223.4750 33324.4124 20767.6011 19696.1618 20664.5204 22569.2033 22187.1375 21511.7315 25258.2878 31988.3444 23505.6699 34349.7586 19038.6940 21434.3415 16805.5055 16546.2481 25292.5235 29208.5096 24191.6137 38120.2225 21332.6922 38577.6969 25372.8634 25594.1086 26678.7820 19870.3897 16343.1389 PA(34:1)_M+NH3_feature1 PA 34:1 68083.6848 51996.6640 124843.2876 134801.8840 95182.6613 35454.2607 87540.5339 58870.4424 44400.5497 49462.6245 349.8855 370.0311 400.2448 343.3974 351.6369 384.8346 75782.2587 59728.6180 68044.3463 67668.2813 61696.1580 70092.4587 84520.2663 59261.7147 65666.4190 54719.1726 39657.6017 32507.5829 25541.2474 158915.7941 48971.0370 72260.9209 161777.5669 132878.3315 30895.8945 39037.0830 38971.6748 31060.8379 65500.2786 122661.9286 82123.2672 85939.0048 166702.0529 111783.1494 86220.9652 66868.8901 73038.2626 30628.5820 51912.1318 42537.4168 123881.5087 65750.4823 89381.7880 145798.7230 21844.8929 35787.5747 45574.6996 28778.6741 54523.7852 119598.9792 60230.9254 94343.6245 62219.7206 72513.9553 81682.0226 39674.5398 51795.4618 27401.7585 88059.4666 PC(30:0)_feature1 PC 30:0 973182.1740 947036.0205 1546037.1760 1949240.8220 1447662.2990 844107.6597 971548.1651 1080264.6780 1098198.3930 1221474.2540 443.9971 410.8046 408.1389 428.1635 420.3158 437.2205 1208068.6520 1191567.8110 1226311.6360 1192870.6340 1198787.5020 1191529.0860 1216139.6040 1232840.8850 1180966.1430 924304.6090 926390.7725 1085748.2820 1036208.6600 1578297.2080 874482.8107 1029589.7380 930486.3085 1047435.1900 1024768.0080 746351.0111 1240905.5430 1347427.5230 1041081.1690 1377310.2920 941241.0216 913369.9648 1494651.9710 1196533.0970 1110701.5680 964443.0533 1248751.4840 1026570.4100 829110.0788 978235.5204 1427871.9130 1257297.7730 1176682.1990 1763552.2600 809750.5421 1254229.5820 877116.2273 991915.7258 1084934.2230 1554601.1210 1135486.6090 2347999.1510 1521108.7730 1507361.5970 864992.6004 1500538.1490 1221605.7040 1449235.8170 1909573.5510 PC(30:1)_feature1 PC 30:1 62812.6106 71050.1043 191862.0952 261443.6937 146910.7333 76885.9786 80953.4132 93498.5987 105920.7234 111454.8058 465.1891 536.0847 431.0638 932.0972 1050.4856 1910.8435 121288.2198 112205.1137 123531.9235 122511.0401 116104.8264 116728.4655 126347.5334 112765.5829 120504.5095 85479.8598 81586.8765 139366.3383 136715.9764 132297.3562 48772.2247 68680.8588 51745.8423 49012.1840 91319.0496 35905.9091 107676.8077 175888.7815 112217.7930 90342.3630 43265.1771 49438.1167 91720.4459 74534.5421 82847.7333 68860.6360 107184.1885 82831.1799 62954.2742 29259.1845 88407.0564 100152.9218 72274.2528 164381.6937 75851.8307 167692.6080 57917.7364 99725.0023 109239.9919 171365.0219 55996.9198 467911.2030 155386.4820 169360.8751 73973.8032 402189.2896 226194.9290 306404.6475 547270.1249 PC(31:0)_feature1 PC 31:0 42469.6337 27858.3845 40985.6992 70022.9427 28232.5371 43551.9253 51956.7940 45222.6300 55062.7090 41569.7041 165.3488 166.4406 161.4753 158.3319 147.7035 154.9376 57947.5502 65036.8814 58419.2817 56242.6990 60538.4396 59358.5837 64953.1804 64298.5036 54203.1619 44805.8358 51590.7792 70261.0965 62122.0954 41622.1243 8575.5238 33913.7626 64871.6564 15032.0254 33558.1928 24354.6922 38142.7222 71880.4139 79539.0334 17680.9830 46287.2910 28881.3125 28260.5181 21312.7910 25045.5422 19952.5735 31364.2425 44565.0159 33825.6978 36905.5851 63347.9871 55763.3569 54040.6738 70124.5732 58960.1416 130815.6645 22322.3886 44675.8294 64118.7421 78871.7068 37716.8882 151517.2721 95419.0317 97908.9257 61766.3149 167350.2377 84984.4950 143679.1158 160003.7131 PC(31:0)_feature2 PC 31:0 1056309.9590 1000500.8620 1116375.0920 1313402.4650 1180490.1650 901771.1976 1206040.3860 1256932.0550 1096767.7240 1164915.0980 211.9795 238.1482 216.0329 224.0469 226.3038 209.0310 1172754.7270 1163418.3870 1133397.3730 1164005.7460 1180786.6320 1120271.9710 1101383.3010 1179449.2160 1192338.1120 1256006.1470 1285483.1200 1149603.1870 1154285.9310 1226692.5810 960993.2791 1020849.2240 1174250.3230 1108427.0570 1146687.8250 1107413.1420 1295131.0750 1217845.8910 1018269.7060 1251376.0690 1141445.1760 1160029.3300 1612649.6050 1397527.6410 1226944.7130 1188551.9470 1223531.0750 1169767.3010 906676.7573 971253.6024 1347273.0060 1211930.0380 1220114.4030 1437733.4500 895559.6718 1167320.9940 1120832.1060 907080.7966 1057237.5480 1123928.6990 1051006.6440 1262481.3070 1048527.2120 1182949.6800 994480.8308 1266545.0980 1050422.3620 1040629.8580 1235815.5390 PC(31:1)_feature1 PC 31:1 52718.0068 47853.4863 101624.3218 162163.0973 89925.5237 83640.3404 109900.1240 104626.6679 108881.7701 101289.6136 481.7057 413.4202 417.2575 495.7132 476.4470 439.9528 106455.6051 102172.4583 101320.9619 106065.8624 107497.8633 104252.6891 103794.5113 109748.9161 99429.9169 102104.3168 109527.4333 128583.8476 131917.4878 94107.9573 37107.6758 47902.2892 45960.9640 37780.7481 100006.5923 55089.4042 108684.0079 169423.0194 101613.3304 54354.5673 42531.6845 36062.3711 66973.2577 52581.4895 91909.0294 97596.3314 111984.7521 100264.7491 68898.6110 29584.8023 84938.5699 79797.6392 57127.5341 125583.4727 78711.8024 176459.1332 76185.0120 101818.4969 110191.2707 128322.9463 39875.0586 271388.3651 103725.5360 125625.2452 104370.8436 440518.0694 202953.1738 279192.7084 480145.6779 PC(32:0)_feature1 PC 32:0 6553.0539 7736.8718 7210.6143 9647.0931 16744.5251 2323.3854 2172.1414 19259.9792 1773.1144 14770.9261 67.0390 62.6973 63.6756 70.0192 62.3655 64.5833 16377.7541 5229.1151 15279.1297 11009.0644 2035.1507 19621.3386 14468.8842 20039.0906 13126.3249 9877.6646 4358.9584 391.0490 10150.2833 14412.4085 7807.1107 6177.0345 8992.7029 14203.1849 6000.7365 4311.7506 11166.5813 837.5497 12360.4976 9944.4617 2722.4034 5508.3755 13425.6783 20354.9656 9300.1560 6749.5234 10221.6840 6327.0501 12017.0602 6167.8821 8487.0848 18626.8803 8621.6981 18204.5990 13791.6335 8451.3312 4188.7503 18137.9608 11077.1649 4200.5278 4883.1056 4121.7463 16028.7026 5483.6259 1948.1941 8522.0713 7425.4455 8152.2381 9469.5188 PC(32:0)_feature2 PC 32:0 29366476.5100 31022320.2200 33983094.6200 37396489.1800 36647863.4700 28687045.9200 36539476.3600 37383497.6700 34047080.0600 36337063.3600 1217.8558 1408.8655 1613.4725 1498.8494 1380.3522 1987.6199 32282302.9000 33032754.8400 33483356.7700 33641409.1500 32754138.8800 32012764.7300 33855425.0800 32754401.1500 32733091.7100 30560287.1900 31306351.5900 25917949.5900 25962145.5700 38149426.7400 29428386.1400 30436501.5800 31573395.9100 32425609.0900 34400876.5000 31651422.1200 38913909.6900 38081806.7600 32797361.3000 37998391.8800 30880795.2200 36815393.9700 42560710.1000 40453049.9500 41432947.3200 36913191.3300 41467171.0500 34452330.4900 28561930.4600 29288836.6300 37869636.5700 35110322.2200 32512486.9600 39756797.4800 25640437.9200 28239216.6100 35579924.3800 30296139.5900 31657946.4900 32218897.2500 30361694.6900 35203236.6300 28599051.0900 29143223.2900 27465399.7600 29414261.2400 30095032.3100 28094274.1600 30781729.7900 PC(32:1)_feature1 PC 32:1 6749120.5290 7525403.2420 12454457.8000 13385686.7900 10113982.0500 6872472.7350 8200633.3850 8085410.4210 9108505.7470 8508792.9540 326.3982 322.9493 307.9843 355.2493 334.4119 347.2690 9422149.1730 8972426.5260 9896258.2150 9303093.6180 9546752.6140 9670608.1330 9192964.1550 9647848.8830 9155432.9300 6520724.8620 6166385.1310 8404858.3710 8566537.9890 10473096.7500 6277543.5730 6681191.9500 6538876.4140 6434788.7820 7465669.5290 4666044.7590 9166744.1460 10681755.1700 8768336.7110 8284777.8640 6207426.6660 5667474.8670 7818133.4550 6701435.8790 7328648.8210 6827050.0190 9635902.2970 7679013.8970 6779800.5510 5407698.5150 10178285.0100 8453817.5900 7382181.2130 10896884.6800 6978262.6670 11828476.1000 6228638.6680 7974988.8850 9066210.9680 14003546.0700 6604387.6650 22009737.1500 11454584.8100 12397532.2400 7688866.2040 21182726.9600 13964898.9200 17658827.8100 24819288.5000 PC(32:1)_feature3 PC 32:1 244868.7916 160099.5314 298094.5796 318167.3218 282567.2885 366637.1929 526854.9616 533966.2870 513510.7326 425443.7973 389.9812 370.3861 361.5288 419.8589 454.3266 402.6657 376396.0213 365905.1867 405019.8553 362096.8677 371620.4246 399902.5015 390154.0148 370683.3540 368713.1243 440861.1524 531002.9668 436609.5620 469540.2216 273268.2005 154862.7328 220913.1015 261083.8486 216280.9993 470833.7941 465568.8443 502028.4695 638062.4506 432236.5536 323177.3087 205071.7215 185532.7751 332905.0534 281499.1145 511193.7721 544787.5948 513480.2024 563134.4451 345390.1850 171873.4341 272952.8338 288439.5192 266374.5929 342809.7534 368883.3133 505130.2934 623843.5969 455275.1853 408323.6843 281448.8216 242044.9347 401689.2081 294600.6865 340810.1818 510058.9846 571217.7646 517890.9997 545628.3090 598921.1749 PC(32:2)_feature1 PC 32:2 1936490.6160 2011994.5970 3704335.7310 5095646.5290 3588085.0600 4137196.1950 4774298.2600 4544588.7040 5017877.2620 4219690.0570 698.6194 701.4620 687.2002 684.2724 725.0471 698.3271 4379887.6770 4238698.3230 4158703.4810 4203676.8450 4161894.3040 4359510.6310 4169376.2880 4088810.2110 4446730.9270 4587300.7620 4570233.0450 5692471.6360 5302026.5980 4277992.9790 2075032.3620 2166680.1280 1812114.2980 1951348.3910 4630254.2240 3384648.3220 5517275.7670 6118834.0390 4437512.0650 2563355.1890 1748011.0730 1871817.9970 3764062.7640 2607946.5830 5991332.9690 5262095.4940 5467785.7630 5243649.0120 3666162.6650 1728189.1100 3030744.4200 3292805.7130 2875144.3250 5434116.7310 3853704.3660 7598828.6290 5651965.4680 4497970.2120 3483031.4290 3599738.8000 1937480.9570 6567013.0930 3725691.9260 3667477.5680 5783605.1110 7995629.1210 7957710.4290 8289692.5720 12251949.4100 PC(32:3)_feature1 PC 32:3 68954.2042 77225.0405 151884.6489 199046.0470 118635.7110 50556.3258 66231.6818 57703.4050 67758.2194 68911.1793 397.6186 771.5553 763.3902 392.6942 802.4752 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198866.5190 188330.4635 193034.5961 182934.2281 179532.7655 201231.1903 188135.7712 206443.1772 177058.5191 161453.7952 173562.0983 169323.3433 216065.2440 133292.5713 164875.5339 176712.5091 185734.6363 174126.7864 173242.4298 206566.2893 217562.5743 164057.6091 208253.4615 150536.4952 169880.7143 208748.5656 204226.6670 242659.4531 227122.8229 238841.8567 206878.2621 162729.4279 130459.2775 201076.3724 207954.5786 183839.9511 242595.1594 124351.0550 224964.8819 190028.9715 167592.0261 138984.6552 225974.8075 169111.9383 278228.1019 199718.0179 243006.0871 249998.3765 302660.2211 270712.8076 256238.4541 352692.2371 PE(O-40:7)>PE(O-18:1/22:6)_feature7 PE O-18:1/22:6 333426.4189 301622.9747 378610.4258 464230.1365 464779.0290 228388.8712 361296.1962 339097.7680 313802.3133 308179.0493 510.0380 460.6849 452.2670 468.2372 466.1711 433.0462 368823.3215 357590.3211 354930.6031 374450.1875 370989.1030 327157.7288 358736.2438 366269.9938 373335.5279 326410.6403 331976.5181 248975.2577 248616.1735 486880.5446 310496.6589 300221.4101 407902.9423 375502.7835 317956.2980 326388.2433 440066.0759 434783.5443 301285.8917 491676.2264 354612.2555 442148.7471 612455.7053 529106.8393 482795.0859 383699.4286 500346.1107 381245.7435 237397.1413 307428.2943 481962.1586 447077.4134 436598.0823 600597.4032 204418.2340 305165.1565 449872.4855 289731.6549 279896.6097 339813.0432 354321.6446 407920.0161 326713.7674 353623.4226 303177.2601 316522.2944 305546.4344 255519.9333 308904.8500 PE(O-40:7)>PE(O-18:2/22:5)_feature1 PE O-18:2/22:5 114959.5185 119038.6247 161779.0716 163442.0288 157994.4225 146815.6358 172980.4493 156053.8469 156349.0312 143469.3753 481.8354 529.5135 557.7869 489.8523 530.3770 527.6681 139446.6522 168507.1196 100870.9816 168356.2911 128465.0974 122382.3792 147296.7140 148346.4542 143157.4503 174038.6924 157782.5692 163425.5577 134268.6192 143317.8014 145849.2468 97450.2991 135425.3945 144255.8244 336110.9950 137643.9585 151019.5470 158483.7295 163509.5510 167116.8930 113441.3229 153751.6980 143045.5633 180433.5404 170712.0782 176654.7844 160600.9041 165770.1989 120178.9221 153071.9531 182450.2114 168893.0829 143039.6430 168576.4239 149880.1138 145347.9224 194463.3981 173130.0362 145837.0413 151069.3494 134476.6887 141848.3854 160759.1271 126233.0781 150490.3837 137149.5124 157513.8249 138624.4449 154293.4748 PE(O-40:7)>PE(O-18:2/22:5)_feature3 PE O-18:2/22:5 79675.7023 82576.3339 119102.5524 129792.1859 124745.7878 92658.4399 135591.9567 114249.3386 106291.9176 46053.6646 190.6578 208.6785 195.4816 208.2728 201.7655 209.5857 106319.4927 121341.5554 74376.2146 128403.7580 104334.4691 87884.0031 111121.0295 100970.6048 113953.8736 120011.3262 122461.6042 115304.3659 94648.3745 109842.2817 105185.7107 72115.7781 93602.5836 95656.0047 296823.1321 89167.0389 112867.3621 111478.5007 112744.6769 128622.9644 67369.0454 111122.9720 115975.3124 134579.6981 130877.8458 139951.2856 134702.3816 133136.2414 83114.5666 117833.6550 140986.3717 136760.4810 7644.3974 131033.1294 88278.6256 102917.3478 145003.5339 127724.7472 111309.6740 107661.7252 102958.4137 110922.5147 113926.5762 88613.5115 102610.1381 86465.3350 128333.6455 92522.8706 109495.9023 PE(O-40:7)>PE(O-18:2/22:5)_feature4 PE O-18:2/22:5 79675.7023 82576.3339 119102.5524 129792.1859 124745.7878 92658.4399 135591.9567 114249.3386 106291.9176 96249.9394 48.1480 47.3344 46.1261 51.0122 47.2243 48.9923 106319.4927 121341.5554 74376.2146 128403.7580 104334.4691 87884.0031 111121.0295 100970.6048 113953.8736 120011.3262 122461.6042 115304.3659 94648.3745 103313.9114 105185.7107 72115.7781 93602.5836 95656.0047 12071.3391 89167.0389 112867.3621 111478.5007 112744.6769 128622.9644 67369.0454 3087.2903 115975.3124 134579.6981 130877.8458 3767.5614 134702.3816 133136.2414 83114.5666 117833.6550 124973.5887 136760.4810 7644.3974 131033.1294 88278.6256 102917.3478 145003.5339 61264.6374 111309.6740 107661.7252 34521.5626 110922.5147 4756.5648 88613.5115 102610.1381 86465.3350 128333.6455 92522.8706 109495.9023 PE(O-40:8)>PE(O-18:2/22:6)_feature2 PE O-18:2/22:6 466514.0136 416304.4991 513152.4229 532007.0622 539401.4195 213928.3042 297283.9357 297820.7591 294225.8699 272204.2063 209.8597 201.9314 205.2412 229.1881 228.1495 227.4669 361155.3207 366703.5815 372036.1617 375170.9333 370045.5323 347880.0238 357913.9925 365345.1119 378249.2795 294856.8442 303713.9942 219818.9782 234802.5389 490651.9417 413630.9258 406941.9471 435299.6555 458699.7108 281197.5864 290797.3290 371740.7520 318110.8625 330483.0438 576072.6871 436956.8155 536376.3805 645572.0522 521707.9184 370554.1518 355996.6547 374835.2568 313539.3112 254283.9894 443419.2632 573036.5101 466252.2736 474338.6560 528596.0920 238931.0928 281101.6911 345362.1239 281401.2398 276836.0941 407392.0254 529650.3862 457006.4030 411519.8482 417316.5114 246120.7765 269852.0811 252400.2602 237135.5912 236095.9716 PG(38:4)>PG(18:0_20:4)_feature3 PG 18:0_20:4 519285.7317 522796.2461 647859.3488 762528.3489 583862.5462 538185.9068 750902.6867 452229.8993 559897.8081 590045.9535 402.7773 388.9783 395.6187 465.6980 456.0696 462.9236 539209.9922 422953.9219 542219.6576 537508.8556 542958.9812 413834.1968 551077.3645 419332.5491 568960.2511 446602.0915 510916.0987 369453.7697 464447.2666 648947.6180 508309.1260 508272.0042 329326.6909 491767.9079 272743.0070 491260.0191 319018.8779 570945.1252 512407.6271 502367.8992 533024.3351 465958.1144 574230.2420 382673.4021 523773.9354 356176.4926 411481.1516 524001.2516 263844.7068 535222.0889 696158.4369 561737.0056 643911.5134 858067.7044 446472.0950 627815.7189 353938.4761 336245.7240 587715.0692 543921.8685 351315.0294 834637.4766 576673.5791 632127.0422 599254.8922 552179.7950 561941.3981 324521.9589 648771.3924 phenylalanine_feature1 Phenylalanine 35790.2710 55811.9755 33320.3729 44024.8001 35320.9075 47618.3471 52287.5459 80121.2285 38141.6461 40966.3276 72.2671 654.4858 573.4637 66.4486 559.5082 559.7469 56074.9346 56983.2823 41537.3204 49596.1649 56494.0927 52829.5504 51087.3400 55580.1574 51000.6435 33338.4653 36318.2007 26085.2740 26918.3124 39273.2541 77771.3798 30132.8843 47052.1399 44959.1477 42285.4871 33254.2382 66438.6314 63305.5437 32873.8037 32430.1355 42887.2336 43017.0556 61557.4053 38993.4369 71469.2659 53119.1300 71553.4682 55070.9849 52561.9198 35788.4450 62616.6857 61246.7284 43508.2516 74506.7418 51212.8656 103718.5021 32882.2488 38782.4494 71406.5093 47779.6742 44893.5794 61659.9429 39628.8145 67168.9330 58654.0367 47822.3073 52596.5403 32399.6452 66985.0858 PI(34:2)_feature1 PI 34:2 118582.2589 145299.4508 152787.8541 376576.1063 249519.5357 315336.3857 445187.8817 350906.6570 306454.3924 220457.6785 577.8756 576.1787 586.2087 634.6548 588.8142 583.0030 227720.5315 241604.5804 255880.9863 242026.5352 335452.2870 251697.1373 230401.9758 236182.0480 242822.9101 163000.2420 158763.2508 164451.6059 141436.4824 188089.9331 172821.5184 90871.2575 94338.0923 121045.8971 214548.6173 240561.7463 273963.6050 366886.3774 278889.3253 104000.0017 134297.4960 138204.8626 248217.2975 132491.8545 444651.1701 423139.3079 394316.1271 323891.2412 230688.0368 138954.7736 192669.3515 231785.8830 267450.9949 395006.3789 286410.5404 437756.9981 302059.4012 260215.1106 346603.0856 166920.2854 81361.2458 287021.4384 169784.3386 190476.0607 442053.0688 275095.1084 251051.8014 220348.7735 406511.3175 PI(36:3)_feature2 PI 36:3 40683.0127 19180.7449 25658.3639 46046.6748 17131.0696 64011.7694 76696.2341 63649.1084 36559.6437 58513.6340 214.5353 202.2146 228.4914 283.3200 301.0156 312.6811 38121.8639 44569.3520 46600.9938 39237.9917 46505.7619 34362.7472 35346.6974 48368.5374 43356.7378 27960.3617 31519.7301 25899.9461 25951.8292 23920.1894 19774.3655 19416.1845 11178.8126 15169.8774 39674.1473 30947.5773 27284.0004 48944.9832 57706.5477 17971.5916 18827.2084 2829.0730 6947.3835 13194.5842 53074.4106 58538.2201 50429.7717 50039.0336 42092.6118 22177.1555 25958.4553 27914.7502 42808.9784 53937.5791 49766.6347 79354.9584 51964.9244 65173.7657 74103.0519 27024.2893 30353.6627 56408.4513 47646.9462 20530.1502 89812.1225 62416.5566 75999.4091 58986.9883 115641.5456 PI(36:4)>PI(16:0_20:4)_feature1 PI 16:0_20:4 384009.7456 499245.3066 394603.5513 1205183.6960 477859.6234 1406835.4820 2045690.5620 1577753.6400 1204787.9130 1185808.0140 573.8186 516.7438 559.1518 601.4436 575.9864 559.5931 936996.4607 887936.2839 879438.5683 917940.2438 895482.7281 913840.8924 886591.7816 884698.5237 938193.4942 474571.4171 482216.9045 514970.2907 531652.6903 733613.0170 597926.0775 297161.4309 447961.2821 384138.7274 1194593.9570 1023830.3420 1131139.1790 1621328.0440 1376046.7210 405137.0805 472217.5954 340333.8318 626303.2062 467573.0464 2038144.5370 1652774.4630 1576009.0890 1427027.8630 997313.7194 281820.5402 598725.8756 714846.4138 795581.7059 961816.1637 944442.7781 1591833.3840 1337625.1180 1187065.8670 1655456.9420 554608.6715 271934.7768 986224.7100 544339.3293 602652.6626 1860518.9860 1332700.2240 1236326.2540 954739.7640 1540853.9360 PI(38:3)>PI(18:0_20:3)_feature2 PI 18:0_20:3 175635.9477 207977.2400 254874.4202 410402.0961 185480.0198 418044.5473 767921.2585 465551.8704 391866.7147 375263.5155 636.3500 794.1480 741.0344 717.7793 863.8950 890.1419 329186.8458 319796.5334 317639.5082 327018.9984 305261.6195 318855.7489 330737.0771 311860.5102 331131.1565 196907.3301 247308.8932 237885.1748 226641.6396 215050.1089 118908.6044 114568.9347 91537.4352 131653.9333 292067.1296 259274.3989 300356.1531 457076.6956 477257.0089 147035.9179 166560.6449 99252.5100 204386.4034 134382.2129 527494.7649 426169.3518 511878.6141 372564.1448 279882.5653 128174.6055 296703.1253 307009.3684 336630.0195 405408.2601 245378.9563 477882.1345 410682.4900 386934.1833 510922.4411 319326.5507 143280.5777 545923.8630 248490.5246 283452.0058 730435.6638 407408.3114 452346.5921 381568.3601 632061.1897 PI(38:4)>PI(18:0_20:4)_feature2 PI 18:0_20:4 8376370.1740 10257373.9000 7790500.7740 14525226.8600 8942969.7300 10255055.6100 18113886.2600 11421753.2300 10071621.7200 9469826.3880 1047.7591 1052.1876 979.6665 1140.7241 1143.4483 1097.4424 10287539.2000 9986903.0620 10419433.0200 10370996.4000 10443130.7800 10130761.6500 10041018.5000 10443076.0800 10192678.7700 6098144.6390 6499506.4590 6181617.5230 6454915.3950 13935781.3000 11244518.4800 7246191.4080 11855419.5700 8546397.1020 9582722.6950 10744417.4300 10510306.6600 11139792.3900 13186235.6000 11089004.8000 10134064.5100 9148121.9230 13451020.1400 12662347.3900 16061474.4300 12787954.9000 13281538.4600 10931286.5600 9564897.7760 5914330.4740 10557875.8400 10923682.2700 12982707.9600 14130216 7664110.5410 11277317.5000 10586464.5600 9023613.1310 13409839.0300 8753975.8970 6349370.3960 10477116.2500 7945140.8950 9612130.8690 14988601.2500 7633165.7540 8882493.8770 7005531.5920 9818255.0190 PI(38:5)>PI(18:1_20:4)_feature1 PI 18:1_20:4 64933.2873 62959.8690 96111.1112 205096.6878 99139.6753 254722.6059 338544.4763 229185.9207 198099.7114 162685.6966 694.3822 639.0726 619.5034 788.0390 711.1637 694.0880 137321.1459 144515.4543 135638.3069 145764.1630 134831.2146 171630.3789 139237.1106 127548.6321 140653.5968 125793.1346 118618.9560 115856.0599 144037.1089 94390.0446 73761.8318 37474.1471 62431.7443 56743.8105 149232.0166 124485.9116 141772.8891 231492.4363 198119.7409 64572.0864 58552.9319 47066.9644 102450.7423 76512.0575 273522.8336 253368.4686 204639.2795 208059.6965 144439.1182 54321.0962 104026.2377 82756.1351 122657.7676 218824.4476 181387.1828 305389.1863 192869.5442 166761.1691 245868.1534 108334.2695 42450.2154 159830.0919 77574.1530 91026.3200 290954.0880 219958.5502 195735.5586 135684.6686 247328.5677 PI(40:5)>PI(18:0_22:5)_feature1 PI 18:0_22:5 121613.0368 137708.2376 171726.7761 241142.1061 161551.4262 246888.8239 442622.0958 303899.3608 227781.1703 227247.1934 437.6035 434.5223 426.0540 516.2573 489.1775 516.5693 180573.1922 174593.9412 180189.0071 178676.0704 190372.6122 167599.6993 177329.7207 182221.2550 179131.1691 104869.1256 115958.4253 109169.9540 112852.8388 150742.5819 119835.6278 82782.6829 120268.4489 119364.4482 182857.7372 172027.6199 184620.5413 232491.5099 258797.9605 126079.1460 141293.9195 90231.2095 211530.6029 121502.8075 308781.2112 201258.1745 242391.3712 186132.0424 112387.6068 139566.8561 185382.7549 146303.4810 204679.1798 221576.7581 148670.8739 244956.0414 195782.0347 176895.3424 294829.8757 131259.3221 112530.2984 202499.1442 147612.5261 157696.5272 260308.8678 160662.2620 182676.6642 130159.8790 210718.0108 PI(40:5)>PI(18:0_22:5)_M+NH3_feature2 PI 18:0_22:5 3069.9480 6437.9373 5608.5784 10816.6161 8847.6025 20734.8629 43885.2649 32723.4790 26800.3524 17488.6486 163.1407 189.2891 176.4707 177.0495 217.5476 199.1916 11586.3915 14968.9293 11590.0930 14053.4739 10443.3840 10337.5730 15050.3700 10370.2404 14469.8961 3575.9602 5107.5292 9457.1208 6304.4002 4231.7040 3726.3489 2968.1939 3436.5669 5111.6331 8162.7343 9618.3821 19898.4196 18261.1374 30800.9359 8381.2761 4920.6511 9167.2176 16975.6764 3574.8937 42505.3380 24571.8282 34333.3108 21635.1388 23283.1079 2997.2571 7571.7610 4528.3514 5108.4661 11172.5098 12061.4485 18716.7109 8253.5269 10571.7576 31115.3073 3875.1054 3332.5568 14297.8310 6905.3108 7382.9259 31218.9262 16862.5657 15752.1296 10257.8953 14138.0729 PI(40:6)>PI(18:0_22:6)_feature2 PI 18:0_22:6 142699.2763 121962.4435 197378.7445 251295.9647 188759.2543 258247.6449 505479.1063 379427.3336 282299.7830 257926.3450 305.9812 312.8601 305.7377 350.4512 349.4868 344.5449 213797.6963 214902.0967 197853.6648 220006.1174 230488.3324 210097.7867 209678.0757 222917.0842 203325.8713 107138.6537 110492.2396 106056.6743 114523.8153 94975.0273 117751.0753 70423.2502 111159.1527 123688.0627 232671.4320 209581.9786 262382.3911 289948.3601 354857.4241 94829.1146 159053.1252 126104.5966 272281.8179 92046.5864 461948.4424 286914.2911 349207.0819 252070.0344 200772.7135 159042.1967 215173.1769 178635.7107 223393.3981 214287.3986 183092.5481 305831.0386 263629.6421 217316.9451 371654.3671 130873.4892 121110.1940 228078.3012 151569.8030 210520.2880 310751.4321 181000.4024 189073.5646 152193.0037 238636.4119 PS(36:1)>PS(18:0_18:1)_feature1 PS 18:0_18:1 1898430.9570 2083625.8210 3336020.9540 1805833.7390 2296574.2610 2369042.4800 1614091.8500 1992849.4800 1905868.3420 2070858.5470 710.1707 1072.1992 965.2792 624.9836 900.3404 829.3729 2117841.3980 2086918.3510 1872952.0760 2094591.2230 1900090.0050 2103221.1440 3116669.3710 1894414.1170 1578127.6920 2303011.7180 1637292.1160 2581368.2560 1752632.5320 1583205.0010 2153164.0360 1978363.2390 1933357.0840 2169925.2940 2147219.8900 1801349.9370 2220494.5120 1608396.3550 2262287.7460 2138703.6580 2138436.7470 2060199.2240 2149212.2800 2430858.9290 3063790.0170 1619257.5390 2371478.5460 1959451.5370 2127048.8450 2439153.3870 1975865.7150 2337276.8940 1960831.0260 2769882.0250 1640490.5910 1496496.5010 1747234.3260 2208412.9070 2739895.1670 1925699.2520 2392196.7310 1928049.7260 2097160.3800 2085089.9570 2001534.4400 1847941.8950 1322619.6780 2031412.2550 1641894.5000 PS(36:2)_feature4 PS 36:2 528653.0141 490237.5370 562284.3148 848401.4115 502631.7617 205306.5079 589457.5013 365776.1256 337723.7125 307107.9366 370.4995 352.3685 344.4175 449.9807 435.2783 433.2356 454596.4508 469973.8368 482618.2214 496008.6212 478597.0656 532687.8252 482879.5699 483656.9723 424349.7275 308837.4139 361972.7758 210181.4901 258948.8452 892419.3991 519262.6738 490899.5345 563755.1600 501965.2556 210384.2091 327519.4305 346504.8078 384741.4109 325076.4946 648717.8312 478788.6880 511067.3245 855672.6956 707066.6109 558176.6069 448224.9718 434167.1621 380403.3975 249197.1063 322613.5534 634844.8658 653199.4688 687030.7237 906695.5580 231091.2503 520142.5314 413064.3939 284179.1563 444048.4034 648331.1395 411028.5155 814589.9069 492831.7933 588124.9130 637785.5937 496351.2387 375766.5669 333932.4496 531078.1597 PS(38:3)_feature3 PS 38:3 57902.8892 69259.9717 155909.0502 185080.5831 99692.6102 79907.2729 102904.9276 83566.1606 62785.0246 82916.8925 351.8845 372.9964 363.4788 474.7145 455.5229 431.4085 101853.1678 88010.7275 142628.6445 85959.3342 121709.0933 86505.1407 80620.2312 98206.4672 128936.0825 79600.1863 81331.8023 80312.7980 78705.6353 167068.9955 90407.7383 103432.6859 62001.2271 60287.0916 76226.0942 81643.0632 81377.6351 71441.2140 89760.7485 103914.9474 54355.4003 56607.2642 98911.5192 79384.2752 76958.0715 69669.3391 105437.3467 92092.2788 61971.3429 92445.8443 127273.2672 103247.0372 159388.2460 158198.7222 74664.1294 116343.2008 83327.0188 88526.3036 131693.2118 173770.9451 75244.7298 153288.3635 91495.4150 146050.9924 129696.9603 85931.6383 97925.5781 64038.0019 103398.2449 PS(38:3)>PS(18:0_20:3)_feature3 PS 18:0_20:3 9483.2348 16717.0051 11282.4244 16208.6305 11657.5874 12688.6486 26381.8254 16329.5524 14143.0033 6412.7365 150.2415 153.9065 150.2268 232.7806 228.0900 224.7463 12071.5820 13619.7306 17299.6806 14949.1476 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32399852.5900 32540815.6100 25237109.5000 34250587.6300 31100261.4500 28604012.8800 28762841.3600 1018.6083 981.7746 979.2701 975.4740 947.3411 956.5832 29949512.7700 28192514.2400 28792577.3000 29085695.8700 29695551.7000 29021982.7000 28486641.7800 28334719.8300 30005255.7800 25436634.6000 25758329.6600 23055588.1000 24475893.1000 36005897.2500 25573977.8200 24741466.6300 34779652.1900 27402600.4200 27337837.5900 27434848.2600 34570267.3700 36255655.0100 27832372.1900 37497130.3900 25254326.7700 32156820.9200 41987211.8900 40268196.0100 38670890.4800 33873217 38836547.2600 31502251.8900 23213548.8100 24089597.4500 32501275.3500 25915264.5300 29577550.1000 33821056.8100 19646450.9600 26868201.4700 31699604.1600 26251062.8900 23510894.2200 24936439.5200 25440198.8700 27129465.6100 21840685.2300 26118536.1300 27806257.7600 29625977.6000 32366608.8700 27064658.9700 25877173 SM(d42:3)_feature1 SM 42:3;O2 2604233.6410 2417426.8630 3000079.4950 3888982.7840 3440595.4340 2109625.8050 2766751.7160 3062600.0780 2635748.2670 2546937.7120 528.7685 496.8296 553.3154 506.2689 505.4198 516.8283 2702694.5130 2972693.9220 2863623.2510 2752639.6180 2828257.0490 2897452.9480 2766824.2000 2798702.1850 2859479.4420 2128097.7300 2074575.7260 1953603.6380 1977987.0550 3446564.2960 2329536.9190 2158137.6790 3290965.4500 2841997.9470 2608784.0380 2368074.6750 3270900.3620 3222666.2000 2024303.0780 3711588.1900 2354255.2780 3062904.9580 4271939.6650 4243877.9240 4172300.1710 2762716.3050 3790488.0580 2673346.7200 1836733.1670 2047768.2430 3201216.6580 3251213.4190 2628287.4170 3688296.4200 1538805.4910 2445613.8200 2879413.2390 2123427.9600 2105455.0990 2802156.9510 2452309.0970 3041311.2410 2264733.4790 2787846.9830 2507062.5330 2736380.0060 3016352.3920 2396537.0170 2529542.1350 SM(d43:1)_feature1and2 SM 43:1;O2 1509288.4670 932660.4076 1639187.1370 1787032.6850 2142997.0530 2433097.8600 3945434.1320 3639549.5040 2983247.3510 3575365.9050 439.4233 441.7339 605.1041 570.4082 570.9941 656.1770 2801647.9030 2987055.8740 3052260.6140 2756620.7490 2366440.9920 2491031.0970 3436037.2040 2249170.3870 3292979.0060 2814146.1340 3378006.2570 2925399.1140 3600327.9530 2227813.2390 1921922.1670 1274933.4780 2939098.9070 1667541.4230 3861190.6340 3869229.8240 4002968.1710 5500227.1030 3585951.6010 3955768.5270 1387454.1930 1835763.2480 3296095.0640 4123440.6110 5240951.7140 5505005.2470 5107609.7430 4190024.0330 2627568.2090 1079164.7440 1804467.7850 1381758.8660 1631750.1110 2611426.9350 2144090.7070 3348204.1870 5136492.3030 2814218.1630 2429224.8220 1251016.0240 2284969.6070 3451161.3340 1210014.6990 1331827.2520 3425821.9270 2978487.6510 3937321.4090 2878333.0990 2748343.9810 SM(d43:2)_feature2 SM 43:2;O2 487973.3384 485821.6709 587065.3353 605841.1345 694373.8029 424680.4198 628088.0287 579700.1421 560961.3116 571460.3884 744.0501 805.8982 878.7663 747.5527 855.5391 758.2775 614095.0330 580738.8489 573991.7479 551029.4094 574358.6087 577587.5402 573269.1597 602594.8693 590286.4004 582924.2495 553509.0669 533213.0999 488735.1158 649851.0728 427388.3181 452939.9595 631720.9095 455199.9208 527029.9244 440935.7628 661015.9428 678846.4412 444428.0659 709370.3641 460226.2145 585029.3404 889035.5162 862887.3639 756973.2730 648216.3041 736963.4402 625345.9072 382339.5744 387402.0889 614942.0413 622715.4919 603073.8832 794827.2996 327341.2400 519594.2563 728855.1068 461907.4251 345720.1186 561919.9397 503186.1495 699959.9447 474194.8270 586104.8878 527976.6904 509010.7983 621567.1736 473284.1999 532249.6571 SM(d44:1)_feature1 SM 44:1;O2 270072.2961 281753.0563 362068.8922 418500.2391 408411.3784 204601.1894 338905.6517 297857.7835 302963.2771 269157.7392 678.3979 618.4907 803.5890 562.8189 560.8626 618.9314 309605.5211 302409.7955 322071.6037 344047.6075 306570.5166 306827.6614 316053.2362 305522.8444 321007.9458 238176.6845 225220.8592 173307.4312 202897.7956 428912.3049 332458.7677 322286.9302 432084.2139 329250.6435 284027.7033 265437.7305 377500.1299 402637.1614 270421.1655 549739.9437 250174.9744 421667.6162 635514.1250 600522.4403 419658.9287 357524.3617 437213.9012 291199.9391 214764.2220 301448.4686 375116.2363 396180.1031 356562.2622 488268.3458 180664.2070 223679.2724 357856.0343 197345.0949 203843.3151 298748.7847 339224.9915 456273.9597 350978.4512 313702.0245 278473.8619 213196.2813 298028.1287 259044.7577 232481.4992 SM(d44:2)_feature1 SM 44:2;O2 726203.1639 919156.9333 943505.9179 1173355.3430 1093726.6610 575729.5529 1085948.7270 805816.3952 834533.3367 883916.4065 457.2944 497.4960 666.6800 504.6173 560.0139 561.3326 938029.4388 916917.3683 874524.4163 935432.8968 895592.0226 941896.4109 908403.0477 925424.1507 911241.5500 739961.2308 816263.0725 699929.0426 718973.4108 1322887.4950 931294.5664 822760.1769 1053373.7030 850541.6936 897430.6453 767347.1155 951541.7776 1116980.6790 837109.4537 1334496.5850 773589.9790 1166973.3990 1548085.6260 1272765.7290 1109334.5980 1191432.4140 1145984.3130 944579.8447 634669.9689 833761.2884 1029366.7050 926015.7055 1121449.4090 1392142.5480 476287.3137 657391.6345 1053023.2440 678850.8951 632431.4030 810466.1661 893147.3739 1376297.6220 953591.8456 912525.7080 824193.8147 636981.1883 792106.6130 679869.7950 687528.6597 SM(d44:3)_feature1 SM 44:3;O2 88059.7782 100480.7856 119770.3554 149326.5359 141451.9201 51377.2650 85915.7660 81328.7332 67679.1007 80834.5970 578.0162 604.3835 600.7084 580.9144 594.2201 597.1814 97441.4972 87026.8597 95214.4963 98324.3840 95071.9704 93595.5179 93128.1327 91674.8948 95973.9195 78740.1740 83065.7386 65935.4393 77549.6402 131885.6364 107930.9590 90223.4311 112387.0826 89111.8466 64561.4705 69637.3809 95142.2612 92384.5389 60365.9860 164104.5557 83719.7961 114881.0919 180249.0754 156660.4438 102294.7430 103994.2393 101409.1896 103019.4096 50742.4636 93316.1248 108087.1641 120665.1281 133058.1532 164523.6592 46136.5393 59614.3945 86913.0217 65159.0002 61825.3141 102266.4164 102028.9696 172208.7291 114373.1526 99842.5042 71608.0003 63266.1373 80445.9009 64546.4910 63426.0696 sn-glycero-3-phosphocholine_feature1 sn-Glycero-3-phosphocholine 7583719.3390 10434633.3300 9417619.9070 13324320.3800 9972989.3330 10854005.3200 21011726.4600 10991611.8200 10616798.5400 6151367.7350 2336.2352 4527.2859 3837.9958 2519.1117 32003.5572 5946.5557 10123663.5800 10707293.5300 11705534.7600 10727290.7800 10863322.9500 7899612.3200 11110748.7200 11647702.8900 10555567.6800 13554985.1500 14142980.8100 6432690.5440 8005395.4250 10243019.9700 7282433.1780 7116003.7960 7813963.3240 10801568.0200 9605706.1350 13117637.6200 13333004.8900 8980034.6940 6684695.5060 9793898.8350 9636968.2140 6427582.8680 9741886.6650 11887311.8300 12477256.8000 8746962.2090 11955139.9700 9020144.7320 7794175.4980 8411374.8240 9210991.0490 7730277.7240 11881676.6300 9315002.4750 5436374.8080 11979114.8800 7915887.4670 8272836.5700 12547307.1400 15064574.2600 7615160.5260 10068725.8700 5477332.3730 10204676.0100 28241105.6900 24894144 10664740.6300 10133449.5000 26431326.3200 sphingosine-1P (C18)_feature1 Sphingosine 1-phosphate 255879.1374 264722.4630 387640.8370 313845.1011 363765.8956 209013.6114 284288.7211 274255.1971 209073.1902 235341.6217 6214.3591 5057.1125 6417.9743 7185.5625 2631.7135 9053.3775 293982.8968 274781.2343 280274.1689 280402.8276 289875.9944 276386.4737 295833.2543 273015.2509 287139.6231 226848.9990 201731.7324 223216.6395 212720.5606 369258.5236 213701.7108 246629.6568 311121.8557 279754.4817 250921.8565 183703.2576 343058.7543 352730.2376 211070.1175 416008.9522 257356.7468 301779.9543 422740.6843 447306.4607 340585.2978 337226.7062 369816.7795 355707.7730 154302.8042 195582.9621 236423.4868 283599.5492 263112.5787 530642.9482 165929.8295 289786.8177 222450.2106 216776.4962 188005.3747 378408.6790 305233.0850 477317.3017 277363.5190 326966.2146 280507.9408 314471.7042 289639.0818 284003.9297 376019.0040 tauroursodeoxycholate_feature1 Tauroursodeoxycholic acid 320128.7803 445693.0911 557912.0769 480439.9893 653544.7067 271834.9883 902812.2625 432333.2616 230912.9176 609679.0886 647.5393 2460.8762 2655.8099 625.1823 2285.9823 2201.8313 528505.1941 542845.6735 661667.9467 560483.7587 647957.2358 666258.5227 553295.9600 612426.1173 509478.9678 73296.1464 78016.2828 135301.9571 149075.9183 806784.6062 435978.6408 624894.8329 738893.3904 1011073.5520 420061.3486 405511.4909 605585.2056 491596.0837 515521.4258 891129.3189 684969.7322 873375.9179 992990.1076 985353.9265 1302276.5820 423997.8147 521430.3360 544837.4273 511101.3209 488292.0985 613805.5210 445594.3029 403931.2034 826274.0182 306738.3197 435829.2763 816135.1667 641476.0963 2532525.8940 437782.8526 252577.5162 861356.9153 405734.3143 610710.5195 527184.4457 498604.3598 439777.5119 260363.4797 573672.6271 TG(38:1)>TG(4:0_16:0_18:1)_M+NH3_feature2 TG 4:0_16:0_18:1 15824.8957 93550.8251 20409.8405 43169.6125 17145.3760 6647.0767 994.6345 20347.3325 30822.4470 799.0088 293.0186 304.1038 375.1212 334.4879 330.3606 343.1650 38288.5075 36290.8613 34476.7323 35678.8275 37070.1715 36370.9298 33488.4728 34799.9422 40004.3637 6513.5467 7751.2549 2307.9565 3842.3198 34507.1221 1234559.1710 91371.4537 807.0422 1335.3807 40812.6450 47400.3292 6705.0815 990.3730 8427.9038 1051.7821 20143.5112 4239.5533 10079.1169 4239.2119 1079.4883 972.0720 1057.1734 17092.3671 676.7942 4765.4352 1355.0435 96652.4155 8824.0674 19401.3926 608.0199 18135.2169 1731.9913 793.8681 156606.6480 1308.5341 3244.9305 9029.8670 7584.6355 103625.5647 848.7961 11059.6414 7381.1936 3985.2172 10060.6458 TG(38:2)>TG(4:0_16:1_18:1)_and_TG(4:0_16:0_18:2)_M+NH3_feature3 TG 38:2 16870.5472 113231.6293 19683.1642 52066.9727 17766.4256 6419.2587 358.4280 22403.8793 45356.4042 544.9718 219.2344 287.9032 339.9320 208.8829 261.3923 282.9282 44699.1448 46528.0894 46479.1640 46140.3986 44823.2861 45713.0892 48235.2815 45638.5836 44529.2780 10196.4397 9044.4872 2477.8680 2548.9823 44908.0183 1456961.6280 107459.7501 397.6352 1932.0183 57098.4754 70407.7976 7239.6511 495.7171 9412.0294 389.0723 19212.0773 4365.0560 13255.0048 5184.4233 439.1822 1744.4016 405.4820 23015.9743 474.6418 4765.5729 3077.0716 145502.8963 7534.2765 26071.5912 287.8513 29325.9140 1283.6536 327.1151 265008.5374 2189.9199 3184.3639 12663.7612 8487.4669 150667.6380 811.0034 12228.1338 7590.8969 4909.8692 11111.0513 TG(40:3)>TG(4:0_18:1_18:2)_M+NH3_feature2 TG 4:0_18:1_18:2 8185.6240 55310.8619 8235.0942 24708.2029 8418.6737 3709.9789 366.2244 13246.8348 24679.4205 447.3013 206.2102 271.0738 320.3853 212.8576 266.6732 288.9767 20759.7931 23161.2534 22416.9652 24902.8562 23435.9796 20372.4638 24509.7879 23726.1435 20310.5992 5454.0869 5447.9270 1147.1487 778.5919 24749.3246 665245.5525 44616.6060 377.0645 526.8940 35055.9530 47832.7653 4962.9012 905.8638 4764.1947 373.8853 8356.2277 2674.0484 4166.0238 4255.6338 393.3644 601.9072 346.4572 13997.6954 328.8879 2246.9522 377.4052 54331.8527 3810.6816 12452.0480 330.0333 15957.0890 399.7932 325.0866 150595.1190 447.8332 1023.7424 5585.6613 4551.5682 70858.8273 351.6253 5004.2034 2179.2377 2235.8323 5928.7666 TG(44:1)>TG(10:0_16:0_18:1)_M+NH3_feature3 TG 10:0_16:0_18:1 8707.0565 30864.0001 48052.5014 42429.9613 26669.2339 28124.2394 35649.1008 59167.8108 64558.9018 67395.9900 319.4539 312.2255 318.3795 404.4464 379.3729 391.6465 50597.0807 49673.7239 47649.4589 49786.5829 50466.8316 49208.8807 48964.0392 50446.4524 49470.5205 35786.8746 43278.4180 41379.8315 40226.1652 42802.0548 806921.3568 54104.7438 15197.4261 10076.2668 78225.2765 108477.0138 58388.0217 48321.0664 81157.2966 32044.8216 19169.8815 14106.1477 22137.2704 16549.5905 14710.8672 24098.0024 64193.3231 30628.9175 24479.8024 4112.8778 7924.5938 36469.5183 11077.2739 19912.5784 14411.8730 34454.3917 11419.1028 30474.1572 188639.7230 64669.5536 11927.4453 65737.1801 27992.7181 59831.0052 10258.3690 23844.7143 24949.6883 39231.5394 55522.9054 TG(44:2)>TG(10:0_16:1_18:1)_M+NH3_feature2 TG 10:0_16:1_18:1 16106.3607 41764.9030 45708.2423 48294.1064 37220.9436 42838.1661 60223.9738 80912.7483 94880.8064 70259.1783 289.1875 298.4399 292.0828 315.3744 322.2976 333.0682 60637.5389 65161.5451 61025.8931 60423.0700 61058.4558 60333.9505 66672.9090 63322.3676 59023.4917 55485.3539 55884.9948 36480.4348 35401.0479 80362.1812 767547.4218 66272.4445 24644.8560 11854.0149 115899.5736 175958.9329 89799.5233 58881.3104 95775.9901 36312.5173 21554.1383 25907.5778 41476.0296 34351.6161 32571.0126 41598.6660 108910.7775 51525.4017 27871.0773 4404.1412 14876.9051 51705.5379 15207.7085 29589.9193 22919.8283 56801.6420 28231.9438 38442.6467 306581.2189 43805.9421 14822.7933 45530.4077 21584.0927 55226.5983 24736.0707 32765.3095 32753.2009 37431.5178 71580.9243 TG(46:0)>TG(14:0_16:0_16:0)_and_TG(12:0_16:0_18:0)_M+NH3_feature1 TG 46:0 75269.6019 242352.6609 242593.9428 332205.0222 172168.9178 119082.0077 121770.6986 214242.3188 249571.0382 342727.2124 399.8617 510.6582 371.3313 443.2132 408.3049 625.8767 280395.0814 295877.3871 282351.7700 266441.3425 278648.0155 279859.0250 279893.7882 278411.6840 292287.8642 161409.5307 152313.2095 225810.2398 218502.6748 288379.7576 2088799.0030 334952.5753 122133.7525 76029.2146 319153.7048 306816.3472 219535.4728 229474.5874 326973.7059 184242.1699 177845.4697 47597.5568 107734.1560 96417.2371 55449.1598 56940.1068 212912.6720 106784.8300 114889.6977 43234.1470 114054.7626 362648.8749 143925.7407 169919.3118 109910.8107 215834.7165 48282.0151 171174.4828 722907.6508 558003.3443 95839.6511 657543.8694 337587.3255 665132.2356 50049.1163 175611.3185 149787.8476 253433.5943 288522.2880 TG(46:1)>TG(12:0_16:0_18:1)_and_TG(10:0_18:0_18:1)_and_TG(14:0_16:0_16:1)_M+NH3_feature2 TG 46:1 115791.9449 284043.5160 489687.2948 520117.4626 277544.6295 190344.2843 230836.5891 381633.3356 426213.1611 603750.0295 381.9729 991.5771 721.8317 343.0571 393.8570 417.3250 400076.7921 425501.4379 384724.7271 418071.1006 381736.9511 395417.9883 409765.1942 403185.4489 411514.9227 309296.0365 325501.6690 452034.3858 480890.3356 385826.8216 4507858.4500 429751.3768 180579.5567 90881.7723 415666.4951 355380.1874 355090.4774 371243.8603 632833.6317 292607.2803 190107.9114 98461.5366 162211.8545 139166.7961 69362.7766 123130.4626 439032.1777 170362.2778 187725.6446 33830.2411 121892.9100 338263.2456 138749.4068 221539.8488 144769.2827 292030.2868 70316.8629 300813.6709 1092723.8930 807021.4850 126959.9633 967811.0901 466184.5148 845975.2920 62651.9594 237130.5638 205108.6739 391286.2857 510524.7559 TG(46:2)_M+NH3_feature2 TG 46:2 72820.6616 165147.6519 314314.1512 236062.4025 186668.8535 175666.9663 238132.5429 341131.3970 398698.7305 409319.7917 340.5377 519.4474 361.7704 350.1239 367.2087 404.3117 273573.2466 273888.2906 262063.9277 278251.4626 268718.6377 266501.6282 278037.1293 268778.2114 272138.2371 263950.0627 296321.7035 217319.4327 203068.8923 295297.2177 3242132.3120 322730.6140 100379.0204 76953.9765 424499.5605 515195.2940 321328.1703 282215.3086 449739.3992 200440.0191 113310.4909 115328.3965 191471.2653 140711.7180 105877.9372 144976.0999 392578.2570 183866.5037 144090.9588 25144.6392 64232.1588 192365.7689 83719.3937 134664.8391 129196.8560 211144.1591 125857.8148 251496.2960 870688.1370 347169.8485 96808.5533 314035.2892 164696.4462 331655.9425 75870.2498 133278.1616 147239.0055 204393.7632 298702.0377 TG(48:0)>TG(16:0/16:0/16:0)_and_TG(14:0_16:0_18:0)_M+NH3_feature1 TG 48:0 911824.3365 2195953.6730 1879176.5260 2676098.3720 1567715.7250 1550124.6270 2289223.8500 3220571.4890 3538472.9700 4373702.1110 3890.1011 6033.1049 6399.3740 4261.1540 6328.1743 4540.2511 2625205.3180 2766901.9070 2702228.0040 2732090.9160 2817125.0330 2632454.1880 2698375.3920 2594179.7760 2792835.1200 1674162.4380 1796816.9770 1653483.2860 1830831.0720 2309909.3620 13120727.7800 2896878.8670 1284044.9550 900976.0831 4123412.2750 3876750.6430 2878769.4880 2814947.8630 4286343.4460 1864652.9730 1439496.8640 968073.5400 1446153.8170 1174131.6610 1148376.0010 1726499.2530 4134104.4050 1860464.4990 1862523.4440 472139.5198 875079.9745 2597870.1520 1131368.8460 1331253.1570 1324311.8340 2130808.6940 1119162.0420 2213289.6940 7347268.8890 3056111.7400 1096826.6300 3334775.9740 1928694.3820 4047699.7490 645791.6427 1496571.9620 1416674.4980 2055164.5860 2240494.7430 TG(48:1)>TG(16:0_16:0_16:1)_and_TG(14:0_16:0_18:1)_M+NH3_feature3 TG 48:1 1423374.4070 2804750.1050 4165183.2170 4484975.0140 2883949.5700 2433542.2780 3347330.4510 4518408.9320 4504837.2020 7132240.7830 329.6702 319.1673 447.7415 309.1651 292.3539 412.7298 3930700.1960 3849383.5310 3858631.9980 3628515.8560 3802043.6730 3718807.9940 3712891.6900 3935006.6120 3927459.3410 3557390.8980 3292346.0440 4301339.3900 4241219.5190 3517696.5110 18446522.7700 3388975.5690 2200111.7770 1359122.6920 4523518.4700 3233078.1220 4059708.4570 4630429.6070 6570182.0140 3206743.5140 2356648.9860 1223007.5230 1896186.5560 1713369.0970 1232373.0300 1858030.2670 5265251.9600 1981092.8550 2727132.4150 619156.0677 1467597.6620 3083434.7430 1741279.7000 2315657.4140 2082659.2460 3361494.9230 1215442.4430 3581294.9630 8286401.5500 5850338.5080 1626092.6630 7399589.4610 4180412.7410 6673925.5510 926580.5339 2379833.5150 2664303.5230 3953545.8540 4545962.3020 TG(48:2)>TG(14:0_16:0_18:2)_and_TG(14:0_16:1_18:1)_M+NH3_feature3 TG 48:2 1395834.7370 2871450.6210 3701801.3120 4084251.4120 3489628.1240 3188849.3130 4184477.1690 5460660.1770 5964662.7060 7765598.7590 541.4921 1691.8172 1653.7839 605.9339 1355.2185 1145.0495 4105247.0650 4101071.9140 3862546.7560 4279555.2650 3811817.2560 4207862.2030 4115932.8080 3812706.7260 4213662.3390 4569622.6530 4595481.4680 3726036.3510 4037931.1380 3922940.6540 18605763.7900 3501467.7630 2323063.3950 1448929.5350 5517339.4670 4243409.6480 5028228.8730 5183574.4500 7952338.2220 3375988.3910 2226164.9840 1572820.7010 2466256.7870 2084882.6850 1583103.6330 2324137.3210 6248509.5220 2392870.9790 3262486.5360 514292.1130 1362641.1440 3085043.1420 1679418.4060 2484867.0720 2675059.9700 3855407.1940 1876334.0230 4877127.7860 8338190.3450 4663727.6320 1697469.9430 5039396.1040 3576085.5740 5799752.1160 1321204.4560 2164181.6930 2766042.4700 4391940.9840 5192352.6290 TG(48:3)_M+NH3_feature2 TG 48:3 233929.6996 636506.1832 1356664.6680 964683.9712 977685.2868 837603.0128 1250363.9850 1565282.5390 1917278.5600 2021481.1630 370.7763 379.2782 393.6134 371.7552 389.7723 390.7935 1065951.1490 1038612.4380 1028672.3350 1088717.1680 1062678.0690 1066176.3280 1068715.8610 1044127.7210 1043910.6250 1389515.5410 1488321.1360 957339.0601 981196.3834 855962.2854 6925476.9550 736722.2255 487631.1927 266040.9370 1454921.8420 1248201.4780 1543252.5810 1367387.0410 2160205.6860 796636.7276 330862.7462 377963.7414 594352.1910 413536.7119 418304.2477 624264.0616 1832124.8280 658549.5192 700826.5580 84528.5327 220843.2285 530695.8483 258141.5287 551230.6520 694580.9548 1006024.3440 528067.4214 1296600.6300 2264158.7070 975391.9570 318986.9701 883158.7610 572071.3331 1001696.6000 342506.2106 557988.4096 681622.3869 951895.2932 1431537.4680 TG(49:0)>TG(16:0_16:0_17:0)_and_TG(15:0_16:0_18:0)_and_TG(14:0_16:0_19:0)_M+NH3_feature1 TG 49:0 37708.4067 66014.9794 56308.2410 111509.7451 68134.4732 67505.2755 132544.4056 141229.6600 202787.8930 186527.1169 321.2383 339.1318 320.1921 336.9484 339.3973 336.8164 114435.7959 108163.7832 113630.2207 117067.5009 113764.6223 117004.5807 109753.1332 107044.6028 117243.1918 84203.6855 83143.3333 57519.5491 59972.8734 111868.6077 739487.8020 119884.4222 64147.7456 47098.1582 225266.7868 233675.1167 173194.7356 132818.4105 245748.9870 89687.4501 64617.7786 46944.7384 79901.8357 64598.6519 51819.6339 102713.9493 295527.7912 84905.7384 77762.5034 20288.7958 36986.7916 71130.8595 47775.1122 59065.7274 60668.2375 102489.3873 59749.1220 102899.7612 393317.9575 143750.1711 50542.4995 140500.2092 86569.9854 204203.9506 29965.8690 77721.0143 67505.2113 92516.6882 131606.6457 TG(49:1)>TG(15:0_16:0_18:0)_and_TG(16:0_16:0_17:1)_and_>TG(16:0_16:1_17:0)_M+NH3_feature1 TG 49:1 201236.2955 316799.0427 484963.4291 622355.2788 528184.1948 715302.4941 1195086.5970 1618977.5280 1738295.1150 1889178.2600 325.4861 315.3671 320.0350 332.7425 341.5319 338.0448 844344.0446 769845.2324 764636.2795 743879.6716 803842.0044 786799.6987 799994.3011 802101.2216 787850.3295 924758.0662 951797.6177 594663.7419 592489.8542 539658.7543 3891317.3970 505599 450623.8541 252465.4592 1386317.8900 1192261.5920 1356519.9300 1287936.0960 1938675.2490 595780.2943 339985.4762 309627.2358 483318.6262 396262.5189 355179.7364 824688.4713 2140174.7930 628896.0566 717074.3867 82869.3760 200930.7850 415491.8740 228977.7671 347996.7712 550153.1498 623838.0279 414739.4761 1114140.0680 1884001.0130 687268.9411 266842.6152 720230.9344 538559.7027 1099843.7710 219291.2357 406648.6996 460579.3012 657351.3125 897207.0021 TG(49:2)_M+NH3_feature3 TG 49:2 51130.0065 102561.9058 233669.2178 269527.2730 120307.7208 199170.9717 248190.0128 357343.9161 345044.2145 369843.8131 244.0760 449.8539 395.1731 260.1458 387.6764 357.1847 160776.0580 188888.9003 172480.7098 264057.9468 174429.3728 171797.3980 186416.6689 187286.3480 177759.9691 262771.6960 290855.5828 218328.5414 231599.1739 129578.5155 535473.0342 132488.8609 123611.8032 7461.9960 32048.6556 33429.5130 335298.5958 222536.1527 542819.5691 124859.8993 97603.0453 84404.6402 128358.8720 88377.6555 91018.9181 22329.8152 276911.5701 119157.0874 3176.0159 20336.6982 60015.1073 104624.7657 68512.5886 99283.7952 157201.9780 184278.8194 107540.5665 207855.3409 374223.6374 206322.4970 71287.9392 259848.8979 170050.3976 420169.9595 54956.4808 131116.2480 116982.5283 207414.2639 309816.1476 TG(49:2)_M+NH3_feature4 TG 49:2 163557.4281 407993.8794 629621.4673 601122.0065 566010.7499 868592.1564 1454030.7140 1757847.0750 1879413.7750 2135997.5870 340.1051 353.2693 350.4896 363.0776 384.6161 410.2625 968711.5713 964056.8466 957260.4672 952115.3818 1025160.6680 923598.8259 947380.0514 966978.7182 980625.6138 1339316.3580 1456774.7760 866563.8981 908167.3103 607261.6615 3688621.9350 607730.8063 492467.2729 375963.6665 1879179.2180 1607633.0170 1439263.2240 1513047.5930 1875369.4380 693210.4367 445270.9304 413687.1317 579850.1917 498729.4273 600565.5038 1140339.5830 1981356.6090 881245.0679 1029352.2890 117851.6026 224604.8289 454952.6578 295090.3886 397234.5536 797338.1722 1032831.0460 671102.2726 1255736.2700 2299582.4240 747245.7524 324416.2109 658600.0192 527812.7946 1050784.5720 468443.8823 515106.7834 567059.0501 775270.1931 1167268.6130 TG(49:3)_M+NH3_feature2 TG 49:3 68475.2959 167156.0507 285034.9424 285566.7179 221753.6590 354710.2736 449255.0598 563524.2366 662926.9151 704544.1556 350.8220 345.6036 349.1999 389.7756 385.6008 364.0866 323901.4582 300279.8920 327965.4991 332444.6360 319325.0151 328890.2561 315398.2440 329156.2672 307621.7117 561339.6739 645536.1049 339783.3988 373445.3001 245172.0058 970330.0135 195784.3692 191024.2985 97768.4839 520789.9578 381034.1164 492217.7121 424551.5384 716514.6797 243730.9806 126218.3085 115004.3990 172017.7772 151796.6837 140287.0415 243829.7545 496243.0448 245233.6494 288947.0184 27232.7375 85134.0339 161492.6691 106737.7741 183557.5814 237853.8113 368952.0835 201961.7222 450288.0238 616640.3408 275212.5456 94648.0059 271151.5440 219017.8677 355875.9101 111869.5428 207124.7279 186024.5507 320595.1691 472673.9745 TG(50:0)>TG(16:0_16:0_18:0)_M+NH3_feature3 TG 16:0_16:0_18:0 692752.2451 1375007.4700 947504.7565 1698605.8410 1171727.7480 900010.9769 1367688.6910 1555918.1190 2497215.6370 1858658.2870 8651.6517 11113.4195 10321.9759 8924.9486 11598.8676 10483.8114 1627765.8400 1497554.6640 1595265.5440 1578513.3220 1528465.1320 1556119.9030 1591009.4750 1582035.3340 1568686.1320 873741.4314 1004460.6090 683033.0646 786010.7104 1888557.9930 7824776.6820 2080019.0170 994771.1972 711307.7112 2460625.2990 3045063.6710 1824737.7880 1491473.1320 2266235.4010 1386240.8100 1060871.5090 865628.1982 1286380.5010 1075326.0180 891947.6669 1259850.8960 2742893.4380 1273929.0830 970965.3823 373225.1637 597675.4253 1682689.5980 828760.8585 1192166.0320 676805.8498 1246868.2220 841227.8947 1074160.6860 4444379.4810 1801299.7180 887443.1906 1955467.0030 1210489.5900 2162051.3080 518920.3625 930717.8351 877105.8965 1046464.7640 1525083.5360 TG(50:1)>TG(16:0_16:0_18:1)_feature4 TG 16:0_16:0_18:1 13931207.0400 22120611.1500 24754695.5000 27203683.3300 24132627.1900 25819888.1000 35420656.8500 41665474.4000 43110088.5800 51498100.2100 2636.5323 5922.1862 5760.0410 2413.1997 5040.8496 6101.3281 29999721.1200 31460478.4400 30059058 30549735.9100 30260635.9200 30729395.7600 30700717.9400 29680208.5500 31030994.5600 26816893.3000 26569116.3400 22204683.9200 22858121.2700 25602604.5300 86696082.2100 26493578.3800 21318958.3500 15546177.7300 40111123.1700 37033002.4000 38511564.2200 36939302.8100 52725001.7100 27417835.6400 18078751.3900 18252602.6700 22432992.2500 21122277.6200 18889491.0700 28866013.1300 54643275.4100 23221407.0200 30544198.4300 7731119.9020 12948728.8300 22018643.9600 16021899 19538122.8700 21652631.4500 24191407.8400 19309450.2200 32331078.1700 54244046.1100 28912186.2400 18542566.6500 31820374.4400 24211047.3300 36038813.4200 13179409.2900 17471028.7600 20248786.3000 24646483.6900 26455251.2900 TG(50:2)>TG(16:0_16:1_18:1)_and_TG(14:0_18:1_18:1)_M+NH3_feature2 TG 50:2 2612313.3090 6667671.8980 15290491.2200 12087959.4200 8912999.7130 9091536.9560 14585432.6500 12947275.4400 18470718.6600 17814902.2600 1012.4985 1112.5072 1010.3351 1109.8233 1235.8399 1949.7850 9292954.8380 9807983.8560 11914664.6200 11974556.7100 9488908.7540 9141632.5790 8568278.4820 12647840.2500 9709528.1910 13318071.9800 11398662.9900 9992586.7300 14548913.8300 8732022.3500 23584130.4300 7247470.3650 7588601.3690 3721011.5320 13788402.4600 8972824.4910 11198979.8300 15097940.9200 21154544.9200 9008867.2000 5182048.8480 3973672.1170 4147668.8110 5060959.1220 3894701.0440 8638757.1930 14698426.2400 7449014.8430 7658629.1710 1537546.4910 4400131.7930 6426339.6180 5697247.5680 6436690.2820 5406976.0670 7459593.2930 2546130.4490 10644099.0700 19513358.2600 12546991.3300 4664685.6500 21290454.0900 11724164.2100 13238919.5900 1983671.2190 5936730.5490 6778711.7810 9276593.9180 11734134.8500 TG(50:2)>TG(16:0_16:1_18:1)_and_TG(14:0_18:1_18:1)_M+NH3_feature3 TG 50:2 15875058 23410032.5800 26212617.3100 27632562.9100 27311666.5300 28880594.7700 40650399.4900 48415577.4800 46514713.1800 56947271.1400 623.1802 1272.0631 964.2092 590.5287 1759.7766 1203.2849 34833186.4900 33926665.4800 32043092.2600 33693666.7800 33366495.5600 33412639.6500 34767928.4000 32261957.8900 34746050.0200 32484223.5300 34430441.4200 25858178.0200 23992846.3200 28194602.1000 90182636.8800 28033199.9200 21765755.2800 18217971 47108665.8400 44967353.7000 44378328.0900 42627991.9200 57768624.1900 28423870.3600 20834462.1000 21474040.3800 25839141.9900 23931971 24764478.6400 33589324.7100 64509572.1400 27580203.7400 33801357.0100 8546025.5020 14209441.5500 23713996.1100 16389739.9000 21628493.4900 30246995.3500 31607488.1200 27922625.0300 41803642.9300 57684017.5500 28739181.8700 19406085.8900 23443000.5200 22871383.2700 34668841.9300 17891957.8800 18901859.1200 24097290.8700 28592711.5200 30166466.8800 TG(50:3)_M+NH3_feature3 TG 50:3 10401325.1500 17229991.8600 26837948.3500 23882471.0800 20796444.0600 23233702.2700 29678448.7700 35281208.6200 37887870.3500 40600991.7000 1791.7022 4983.2361 4186.8297 1995.5594 3482.0421 2899.7337 23278621.0800 23576421.1000 23084072.4100 23909665.2000 22414941.7300 22724888.0200 22801939.9000 23911607.3200 23546591.0700 28818816.0800 29839261.7300 20845494.8500 22358071.8400 18987925.0600 64014699.8200 18168425.1200 16389560.1700 9589395.7300 28677659.6900 23707595.8600 29295157.6900 30857716.2900 47435851.9600 19809717.3100 12941735.0200 11312687.6200 15146609.8900 14232038.7300 13219229.3000 18717548.3400 36307892.1800 16699738.5400 20211454.2500 4397635.4380 10312944.5200 15110251.6700 11088575.6100 14998058.9500 17905354.5000 22031904.9500 14021050.6700 29507060.6200 38795114.8400 24882604.1100 12432373.8800 22744791.8000 19024302.3300 26466953.6400 10530263.7400 13436106.6100 16112079.6500 21219250.6100 28074092.1200 TG(50:4)>TG(16:1_16:1_18:2)_and_TG(16:1_16:1_18:2)_M+NH3_feature1 TG 50:4 4002.1464 8228.6919 9590.9876 5609.9171 7273.0619 7264.8295 8569.8467 9927.5629 10788.6809 5687.5202 347.2373 362.6455 359.5000 234.6445 235.9952 228.8116 5727.0408 7771.5476 7076.6635 7875.8944 7004.0982 8085.6508 7445.1337 5719.9738 7390.4563 10625.3077 9581.4861 5269.0383 5891.7060 10796.8175 68502.9345 11056.4934 4002.4728 3596.0152 8910.2408 15342.1861 10662.9557 6344.6422 9222.0799 7859.1698 5114.4158 5480.9134 8189.0595 7525.6909 4817.7520 4558.2202 10619.3607 7224.1736 5118.9500 1153.8130 2822.7833 6398.8758 3894.3123 5652.1233 2520.5550 7408.8887 6736.9489 5898.7445 19355.5285 7186.4127 3390.3212 6375.2730 4578.0552 7335.7505 6318.0451 3948.6816 5025.7143 5551.6763 8592.6538 TG(50:4)>TG(16:1_16:1_18:2)_and_TG(16:1_16:1_18:2)_M+NH3_feature2 TG 50:4 1721685.9870 2862670.3890 4472652.0220 5766578.3790 5120664.2900 7633892.2960 10268274.8800 11190775.3700 14461237.8500 12422134.3600 915.8015 952.1437 978.9551 1119.0192 1110.0996 1094.2658 6422883.5490 6773953.8150 5647034.5350 6649819.5320 6183341.8190 7201209.7200 7227877.6690 6851449.6110 5261929.7940 11117938.1200 12436322.3200 5898800.4260 6944548.5690 4863278.6330 17727613.5700 4781694.8870 2674814.3160 2146664.5160 10031241.6600 10406196.5900 11314214.8000 9805095.8730 13120288.7800 5285672.4530 2263922.1170 2611163.6290 4058471.7950 3105134.3450 5353601.2280 7777591.9540 13387731.8400 6323765.7390 6238142.6190 829750.4259 1560350.7980 2599334.9330 2758170.4440 2980831.5180 4697322.5920 8679776.6590 6950709.7240 10422499.5100 8069704.9900 3739249.5970 3239370.5520 4942370.8150 3035184.9670 5170707.4330 4405641.0870 4049381.4430 5838448.7120 5836978.6740 8712732.1910 TG(50:4)>TG(16:1_16:1_18:2)_and_TG(16:1_16:1_18:2)_M+NH3_feature3 TG 50:4 178540.4433 236706.6943 406181.0666 298135.3307 358297.5655 264790.2534 425965.3066 433730.5279 550991.4380 507861.5152 271.2313 268.0424 285.0087 325.5736 332.2057 335.6748 289720.8316 312392.8534 336716.5865 354605.8624 346569.7643 264836.2497 255897.0732 345845.1621 333816.8665 35585.3245 335669.9061 147082.0174 167072.0603 490855.0265 848338.8028 317678.6095 255984.5275 173660.2554 433451.6206 294222.2427 458231.1600 455634.1709 564556.6298 390247.1745 256360.2895 187889.9181 424152.1252 330557.7389 218439.2402 302771.3225 585244.4870 232412.0699 252705.3236 56893.8784 155131.7145 200713.5304 149875.1838 256601.6454 256155.3965 215736.5762 217205.0263 368949.8362 423331.3556 369800.5815 232442.1628 277027.2090 248591.1836 333237.6637 139249.5963 174529.6822 225405.0482 271099.3078 371614.3021 TG(50:5)_M+NH3_feature2 TG 50:5 390470.1870 585428.3425 797697.7023 886066.3561 750698.0301 823497.4039 1122827.5260 1126991.7840 1628212.4800 1429739.1660 432.6882 7146.7029 4208.5041 476.4936 2675.3534 2663.5785 788261.4448 762214.2851 772467.0020 825606.7524 778665.4133 801382.6294 698036.2128 820310.7657 791181.9757 1266630.9180 1360469.9670 726023.8414 779352.2395 1031072.5960 2549510.1600 777779.0720 461620.7157 371337.0778 1056972.2480 965915.4656 1229393.3300 1110133.5690 1490314.3730 753898.5551 444214.5717 483124.3476 769078.8137 628130.6201 542744.5042 698639.7509 1510556.9650 653323.3641 587560.3822 151099.6767 452546.3860 585926.8900 508982.5212 813022.9020 754876.6253 1184349.3140 763503.5415 1084342.2080 1345895.5030 1210120.6720 405293.0407 913169.4157 621266.2051 822491.7710 488017.9136 545232.6968 718552.1215 801341.1796 1276403.1540 TG(51:0)>TG(16:0_17:0_18:0)_and_TG(16:0_16:0_19:0)_and_TG(15:0_17:0_19:0)_M+NH3_feature2 TG 51:0 20044.2139 37970.5032 24066.4394 58827.1209 36258.4526 30224.3950 60081.4624 60031.2918 97836.8315 49811.3963 319.9573 324.7700 322.6622 373.0736 498.6761 388.5910 44150.8985 54256.9162 42760.8275 55874.7249 53518.2033 55032.0424 56796.9792 42565.6034 44883.2751 27220.6661 36385.4820 21117.3867 27726.7560 71988.9026 327895.4928 66659.7082 37947.9959 20312.1919 102226.9379 146214.3307 67097.3209 61167.1850 80987.7590 50820.6566 30650.8903 31473.0787 46686.8444 41832.3286 34098.5946 46372.3231 87884.8226 49852.4607 28471.2769 18443.3438 16254.7198 46389.1579 29288.5453 37391.3792 24281.6074 49135.1761 32378.3097 34993.4887 215939.3959 55457.8968 29511.3122 68307.1436 46390.7351 87475.9867 21665.5704 45134.1544 29762.0869 35272.6577 53292.7265 TG(51:1)_M+NH3_feature3 TG 51:1 393023.4497 630746.8933 580503.4034 929846.9621 948792.3701 691274.5354 1611234.8580 1453740.5440 2112329.3360 1810996.9740 276.6149 291.6919 283.5183 335.0061 340.5365 332.8980 1139416.3850 962833.9965 1020424.8010 1061776.6130 1176825.1080 990719.9678 1022387.2390 1058736.4340 1080886.3630 985527.6615 1092443.7080 560345.7845 651260.1144 950798.2463 4941627.4750 831107.9453 711320.4051 438816.3673 1680943.3540 2098038.3180 1847146.0230 1432371.1530 2521895.8520 925712.2415 789778.0497 575830.9106 1092280.0930 780046.6259 652371.0184 1178549.1910 2700091.4110 847354.7547 1146132.4210 195160.5984 348515.4735 787020.4669 410440.8222 576173.3459 652694.4803 860247.1240 664625.8842 1183560.9130 2473836.2610 893557.5597 550753.1975 977398.2441 839249.6258 1484402.3070 380741.6643 626421.6152 631069.9758 791301.0144 1099105.5480 TG(51:2)>TG(15:0_18:1_18:1)_and_TG(16:0_17:1_18:1)_and_TG(16:1_17:0_18:1)_M+NH3_feature2 TG 51:2 1094357.7600 1700969.6090 2658430.1340 2890037.1530 2306579.6460 3979954.5950 4521800.0240 6778321 8079291.6940 7659437.6480 933.1002 902.2129 910.3257 818.1506 844.2964 823.3072 3977777.7330 3468041.6000 2599466.2440 3628361.7540 3668257.0570 3701538.4190 3590466.2010 3442915.4400 3416622.7890 5325495.4780 4780863.2850 3011971.7080 2675633.3100 2768025.4760 8567947.8500 1897735.7120 2643425.9480 1450459.8300 3957673.8620 5483039.6750 6485183.1170 5410055.2710 6267430.7640 3261477.9310 1620845.5860 1240785.4200 2920410.3350 2655868.3670 1546829.2450 4068207.5130 6522735.6200 2423032.6140 3592110.9050 468988.1603 1134149.9050 1437783.7800 1266042.1350 2118337.7500 2582439.7300 2464555.8460 1950787.0700 4715691.7970 6332801.2620 2606123.3680 1608943.8520 2627206.0350 2502682.6160 4759148.4990 1091790.5640 1748147.1500 2350188.5950 3176448.2530 3760040.3460 TG(51:3)>TG(15:0_18:1_18:2)_and_TG(16:0_17:1_18:2)_and_TG(16:1_17:1_18:1)_M+NH3_feature2 TG 51:3 66999.1682 63785.8835 217447.2849 147516.7376 89405.3732 59677.8885 206383.4710 163786.5939 199423.6033 180289.2462 385.0415 399.9491 441.2613 705.6307 732.1850 720.8271 110441.4795 120524.5736 101987.2853 110968.1657 92717.9946 108743.9467 157304.2023 93469.5654 100778.0532 101746.3754 173681.9934 57744.8206 95981.9594 219263.9768 256287.8557 166167.9218 63407.7277 59834.6538 75689.1155 120920.8030 169477.8523 133083.6096 166468.0097 151462.1514 43445.6458 57197.0337 210004.9121 116588.9121 104273.5768 95821.9070 163340.3258 93194.4167 41563.2115 22852.2744 109943.1736 40186.5345 56156.2378 83465.2295 83274.4453 172338.2263 71457.2883 137580.0985 119247.1916 195915.4156 42997.6387 158088.2338 68796.9409 95136.2302 92613.2140 91070.1463 94863.0740 73399.7999 166091.9863 TG(51:3)>TG(15:0_18:1_18:2)_and_TG(16:0_17:1_18:2)_and_TG(16:1_17:1_18:1)_M+NH3_feature3 TG 51:3 1749004.8670 2353050.7770 3512218.7360 3532770.6020 3846251.0710 5187882.1800 7478378.4880 7278858.4890 8916492.6000 8396614.9460 342.1339 406.4799 356.4963 553.2802 351.5256 863.3005 4684787.6460 4747019.8490 4652916.0570 4806316.1380 4893214.8310 4539667.4760 4589988.0330 4733916.9430 4809673.0170 7401468.5390 8305117.9970 4512440.1640 4793901.2750 3492140.8270 8729127.7960 3050624.5510 3299177.9550 2068384.7630 6729147.1640 6331926.4380 7217647.0460 6872568.6930 8725470.8870 3983469.6460 2544437.8500 2726884.0820 3790304.6480 3195272.9790 3098713.2990 5911083.7850 8749962.8230 4283215.1490 4719712.9630 781617.1965 1557388.5970 2449760.3820 1858203.9710 2743047.8940 4112968.5810 4706677.9660 3973135.1020 6143615.5870 7134691.9350 3193610.8830 2110921.2780 2923648.8250 2946757.1240 4835456.2430 2818148.9770 2752600.1660 3272253.6210 3903583.5040 5459866.7780 TG(51:4)>TG(16:1_17:1_18:2)_and_TG(15:0_18:2_18:2)_and_TG(15:1_18:1_18:2)_M+NH3_feature1 TG 51:4 638789.4653 881590.1467 1287725.0120 1106477.1530 1398530.7120 2440143.8440 3287601.2230 3234783.6400 4190866.1600 3227126.9450 492.7603 455.2371 355.1822 423.3867 383.1449 386.7027 1841251.0830 1870543.9930 1957358.7900 1897656.9200 1955824.3420 1803935.6710 1894757.8530 1954597.9370 1831494.2840 4166708.3230 4507497.4460 1961302.5070 2121193.6250 1363392.0560 3213478.7980 1235938.0950 1216793.8940 776365.1922 2938623.2160 3373113.2640 3567139.4180 2868122.6690 3156088.9010 1521932.8110 923192.6994 1149442.7080 1632619.8650 1425930.4810 1787396.1230 2842047.8280 3632441.0450 2046737.7280 1972272.4130 302331.6527 636791.2909 906238.1342 753646.9959 1088628.1310 1990547.0840 2396501.7380 2505444.5060 2837253.4460 2535784.9120 1217448.9210 881540.5211 965933.3255 983793.2655 1573424.0180 1637474.2360 1261278.9710 1513731.7280 1581454.1880 2201077.4120 TG(51:5)>TG(15:0_18:2_18:3)_and_TG(51:5)>TG(15:1_18:2_18:2)_M+NH3_feature2 TG 51:5 86476.3893 120325.1746 235780.1528 139813.9714 201892.0306 325632.3575 427610.6757 456901.6633 600213.2269 513065.4766 446.2431 1704.8745 463.6222 411.6742 432.4402 457.2701 218484.2511 260354.0084 236811.2470 269291.1430 259327.7851 259453.0308 240130.5502 247762.5391 229811.9000 540730.6518 571715.3126 259324.7083 249199.7951 219030.0591 409700.7811 158530.6212 161549.3322 113141.9535 382215.1685 378811.1823 521667.2796 373673.6100 400700.3724 207334.2573 130694.3601 177964.1800 240498.1251 206747.2259 206331.6854 316498.4180 557719.6366 186649.6890 227410.1095 39828.6629 108963.3333 124224.5493 97814.4039 190786.2126 307013.8673 335260.4500 314281.4942 403093.6150 312121.9197 201312.6094 124675.0857 140559.5382 120376.1930 193921.0782 179887.5112 150597.5298 197479.2772 170126.0795 309497.7268 TG(52:0)>TG(16:0_16:0_20:0)_M+NH3_feature3 TG 16:0_16:0_20:0 202933.0271 345509.9830 184745.6194 420065.8831 330051.4414 235566.0142 367989.5913 384864.8740 614813.9025 313858.6092 5539.4757 6214.3212 5419.1401 4462.2591 6009.1135 5843.1585 362876.1518 391904.8268 385500.3642 366916.8323 384839.3572 385482.3011 381199.6836 366995.9987 380021.3500 189996.3980 174623.7299 130047.8366 170507.6134 537383.6040 1695601.7920 486618.5098 283578.1944 245242.6701 565765.7134 833559.3970 486663.6033 402415.7499 403856.3764 411429.8722 276389.8819 268482.9062 386759.5108 363157.3913 303452.7068 342011.1692 517924.9856 371356.0673 212062.6389 126761.7203 170557.5413 424004.0552 216038.5431 366345.4633 181823.9297 343277.4225 307726.0456 220566.3405 1039001.3450 386711.9248 252753.3481 390056.5656 271927.1167 495768.5195 176139.4949 249828.5867 249890.1144 255530.7488 382583.4087 TG(52:1)>TG(16:0_18:0_18:1)_and_TG(16:0_16:0_20:1)_feature3 TG 52:1 5250127.9900 9084163.8500 6659632.6550 10344157.2300 8704707.4290 7181655.4660 11704979.7000 11258389.7000 14995403.5400 13432336.0500 2543.7310 3914.4578 3453.0888 3036.2495 3867.0148 3774.4037 10215166.1000 10044040.7100 9665374.2780 9662364.6950 9801908.7520 10026999.2100 10397892.9600 9916456.0790 9813777.4080 7353822.4960 7818012.8150 5176323.1840 5818414.2130 12240109.9100 41731354.1300 12222883.5900 8054986.8650 5767086.1260 14189952.9900 17445147.4300 12938593.3400 9972207.5610 15452649.5200 10403386.4100 7229263.8040 7578474.9900 10811371.6100 8809497.2250 6128913.7240 9555966.4600 20462142.6500 8097527.9890 7814636.5780 2849401.4150 4102803.0640 9134645.1900 5934138.0960 8077160.9290 4841344.3930 7397195.5150 5820963.8180 8199935.2700 20963468.6100 9571925.3020 7301266.4050 10474337.1600 8574909.4140 14221625.8600 4358439.9840 5501125.1270 6040572.0230 6699450.3160 9024337.2370 TG(52:2)>TG(16:0_18:1_18:1)_and_TG(16:0_18:0_18:2)_M+NH3_feature5 TG 52:2 64971612.9600 83286889.8100 106967740.7000 104360292.5000 100919442.7000 106135418.3000 144436788.6000 139846972.8000 167293567.6000 165065441.7000 7161.5728 13609.8126 12042.8687 9546.2214 13304.2090 13075.7775 114717909.6000 106410693 107416139.4000 107409479.2000 105044752.8000 106550263.9000 107119549.2000 106025047 115695307.6000 112534389.9000 112478697.4000 78792493.6400 86556973.2700 102796777.6000 199801851.8000 47108369.8700 95666534.2700 74265262.1300 131735958 129821851.5000 147121404.6000 124513812.6000 165829580.3000 111959328.9000 66978149.9500 87655060.5800 109363302.9000 105467175.1000 79066984.3500 120889919.4000 189409874.4000 90376199.9200 106123835.4000 39271834.4200 61616489.4900 84226043.9500 63657648.8400 90243125.2600 78338717.4900 83469275.8900 83177881.6700 115100573.9000 138203897.3000 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170507590.8000 210983030.6000 195834617.9000 158667132.1000 133106228.8000 139426155.7000 134651747.4000 200687277.9000 132301679.2000 111713149.4000 146679016.3000 159964653.6000 151589733.1000 TG(52:3)>TG(16:0_18:1_18:2)_M+NH3_feature2 TG 16:0_18:1_18:2 51478.6424 169958.2219 193156.7249 182388.9017 169026.1382 158606.9968 155320.3885 180720.5240 181073.2779 231445.3664 160.6979 190.6686 181.1980 100.8450 111.8926 100.5118 104383.6940 131788.4527 157023.5215 172532.9390 151042.6064 142566.6189 139534.6196 132231.9290 133042.0182 145635.8508 128980.3288 148018.2581 190114.0377 151554.7988 157123.3902 136127.5286 145432.0917 60086.7843 179382.6417 129352.7484 157383.2313 169044.5505 250851.0885 151559.2588 139334.3575 105650.9840 110452.3164 117381.7066 103001.0759 115885.6787 143751.4531 120473.7676 160433.3287 55823.3527 139936.6342 134138.2863 45072.7691 148844.0906 124013.6565 164536.5041 94657.5541 182251.7398 195066.1436 205295.6704 159549.8803 73763.5368 77030.9756 205849.4859 71141.4696 139894.9219 144941.5804 183632.3060 73227.3489 TG(52:4)>TG(16:1_18:1_18:2)_M+NH3_feature2 TG 16:1_18:1_18:2 5351215.2180 7818977.5530 13264040.4900 7621954.0250 12402463.9300 16953857.2200 22102413.6700 22037536.6600 26918134.8600 23816965.9600 544.4850 563.5638 584.8502 592.7575 576.1320 577.5606 12630759.6300 12774346.8100 12586773.7300 12476753.1600 12497956.9300 12481753.3300 12193895.4000 12296928.1600 13253402.6400 18394731.6400 19450826.9900 9366724.1740 9673245.3940 13664900.3300 12960816.5700 11287527.6900 6711003.0100 6289261.4390 17838270.5300 17554951.7700 21996303.7500 18079172.1600 21422619.7200 10964737.9400 6510544.1630 7969442.9440 11921006.7100 11253455.7900 12444849.1900 13687464.3100 27664129.4000 12120694.4000 10753321.3700 2948419.6140 6385796.2410 6193908.2800 6757789.3680 11160303.7000 17923651.4200 18889534.5900 22188417.4600 22248556.7900 15030157.6200 14081730.1300 8513788.8870 6867975.7210 5044078.2300 8611750.2850 9763462.5040 9474508.1300 10215674.3300 9266425.0180 13039203.5000 TG(52:4)>TG(16:1_18:1_18:2)_M+NH3_feature5 TG 16:1_18:1_18:2 67703489.2500 95108461.2800 121138184.9000 90793698.8700 132277165.9000 152856681.5000 187318015.9000 171012567.4000 185419887.7000 175729280.3000 968.8143 2511.0318 2270.1021 715.5675 1572.5745 1503.1463 133509608.1000 125882943.9000 134898129.6000 136581722.5000 125655577.8000 129434662.9000 125238511.2000 135576253.9000 133148038.3000 183215397.2000 179001381.3000 102850902.7000 112804600.5000 122670821.6000 168622230.3000 109298225.9000 112479830.2000 87683057.6600 172569011.1000 180940695.3000 193035900.2000 162071182.8000 192946232.4000 130899158.2000 84420068.2700 112481700.3000 134751062.1000 131991425.6000 127795669 154950019.7000 219573384.3000 125269623.2000 132086484.3000 45285493.8800 69957400.3200 82695135.2600 76792553.1900 102451519.7000 112839594.6000 120655017 154526272 164179712.7000 144172810 114534961.1000 95585639.0900 77995216.1300 81121621.6600 115629912.4000 111085492.6000 86610437.1600 106496502.2000 106309078.8000 118982748.7000 TG(52:5)>TG(16:0_18:2_18:3)_feature5 TG 16:0_18:2_18:3 11345007.6300 17238908.9000 26061775.7800 18948089.1600 24551927.3000 24628979.1200 31987901.1700 29803728 38226347.8200 35104362.9900 8199.5587 1552.4293 36136.6684 3017.2579 11734.9924 14595.2471 22994518.0300 21711478.2000 22382036.5400 22769607.2300 22692846.8400 22352452.5300 22761213.2200 22139959.1200 22522618.3300 29919825.3100 32485954.5300 15775695.4100 15902122.4900 26162948.6200 30948150.3000 22605599.7600 18006536.2700 14733106.3100 26710723.0200 27371081.4500 35056009.6200 29048280.6100 37326433.0600 25394130.1200 16162978.1100 20912943.9100 26496945.4000 25242460.2200 17289147.0800 25269721.3000 43921520.4400 17649820.3200 18432604.0900 5775422.3120 13830689.6100 14350176.3900 12740620.5600 21849651.7000 20864621.2000 21950376.7700 23616234.1000 26917053.2200 24053175.8600 22365633.0300 16638371.0600 14552279.7500 12642501.2200 21940485.6500 14575022.8500 12351999.7300 15410280.2400 16108752.3000 19753015.8000 TG(52:5)>TG(16:1_18:2_18:2)_M+NH3_feature3 TG 16:1_18:2_18:2 1839886.7840 2878678.2720 5204967.6480 4890696.0410 4781566.2120 7690642.0860 8637198.4700 10667170.5400 12804817.7500 9680498.9590 340.4710 354.6918 369.8844 379.9353 378.6906 382.1641 5233943.3580 6940285.0210 5846328.1690 6345511.3650 6716177.3250 6710450.5330 6816760.4590 6174827.7130 5155809.1660 6485035.6730 10163849.9400 5421223.0040 4606852.3530 5544728.6530 16945265.1600 4090910.5090 3036963.1720 2212600.7110 9755913.4920 7921279.3940 10263925.4300 8464646.3420 11797170.4400 5485378.3750 2176316.9280 3338893.7570 4688439.7740 3941903.2250 5278915.7920 7156911.2090 13613877.5400 5943459.9580 4670287.1910 762824.6255 1617116.3050 3119018.9030 2037626.5490 3166929.6790 4493756.9460 5808812.2910 6607768.8550 9523316.3850 9479312.2430 4049209.7240 2519701.4710 2922179.2480 2450095.8700 4009682.3300 4087270.0510 4117307.1890 3815591.1450 5085622.0210 6100969.0220 TG(52:6)_M+NH3_feature4 TG 52:6 1528187.3500 2153452.9500 4238967.9280 2400440.6760 3975668.5100 3191301.7720 4851983.6840 5146650.7560 6230209.9570 6037823.9190 365.9388 364.6486 388.5997 420.1234 391.1214 398.7886 2963106.5000 3047738.7440 3053204.7910 3100694.5740 3100476.1880 3133087.8500 3061438.3500 3050553.5830 2934318.3510 3970543.6390 4720079.1450 1929588.6360 1879383.5460 4121738.7630 3923918.6130 3101208.7450 1897068.4750 1596128.0690 4348271.7390 4070200.9940 5435727.8770 4339518.4850 5709804.5380 3524294.2880 1958591.7780 2564396.6420 3768813.1350 3164632.1920 3091324.0310 3291605.6990 7259477.4530 2712770.4770 2261826.8480 597788.4402 1759046.4940 1592403.7380 1534795.7860 2836126.0170 3359370.7910 3076196.0310 3978991.7300 4749535.4130 3287631.3460 3402077.0910 2176472.0070 2107524.4340 1447693.7090 2329005.4640 1896138.7650 1614790.4310 2193822.5900 2061312.0140 3107155.5500 TG(52:7)_M+NH3_feature2 TG 52:7 211095.6551 266515.6879 577167.4777 392790.9492 430363.0368 527881.4888 774552.0025 875911.3287 974763.7402 841302.3948 350.9624 361.9379 355.1880 361.2135 368.8181 380.8080 463207.8405 466776.4181 415704.0534 463204.6514 425521.5492 430028.2970 486527.6276 419219.0708 471595.2335 617929.5279 613899.3382 297383.1357 304891.3342 633226.3081 524209.6292 355124.6308 260812.0848 167487.2602 682732.8773 563789.5607 745623.3093 607822.5149 832671.5058 470400.0094 212371.6861 209652.5970 501194.2569 380116.3588 406338.9557 412728.5965 1068626.1610 412342.2647 282109.9666 82980.2189 279094.5528 192634.1435 217200.4476 449123.4263 547371.1772 634052.7160 655717.3358 682557.9496 531347.9075 517693.7118 204319.7557 355723.3695 159578.7261 251790.5809 349286.8967 302985.8860 362522.2240 338844.9043 663247.2238 TG(53:1)>TG(16:0_18:1_19:0)_and_TG(17:0_18:0_18:1)_M+NH3_feature4 TG 53:1 84462.6738 207389.2327 95280.8428 222082.5938 183686.2104 170189.5853 327551.6608 328952.3675 471053.2432 338964.6479 289.4056 293.8559 289.2639 343.3467 339.3864 357.6920 252922.4307 233188.9398 245332.3419 265773.7752 258688.1411 253222.6594 250960.1087 237844.0368 247489.8703 187186.4154 230358.9034 132574.5440 155949.7470 279757.3071 1577162.8880 295822.7831 158554.3361 101758.8612 483338.6213 690005.2287 382841.7157 293882.0643 441108.2225 182020.5957 137514.8453 172825.6104 246790.8905 200079.1100 157848.4426 301795.9582 529294.3203 256299.7950 181002.0367 57972.6047 60390.1262 202147.6181 92579.0578 141099.5320 137277.6680 227482.0268 166134.3261 198082.8952 885945.6986 203104.3405 119205.7004 259612.6388 184688.9428 353402.5873 100622.9430 183415.0270 156339.8571 159120.4631 263212.5630 TG(53:2)_M+NH3_feature2 TG 53:2 128677.7847 93537.9571 128044.4480 121050.2390 109086.9875 125865.9066 151337.2257 143492.9901 179253.4498 164754.9531 388.5912 377.7598 483.7334 516.3507 506.1743 487.4879 99686.0730 134811.2994 135390.1403 125479.1908 141083.3842 126110.0416 142590.4759 131303.0236 91543.4637 121505.4271 154888.6636 96693.4776 113748.4644 126187.6889 203211.8333 99058.1929 124432.1491 96013.8961 193839.9149 125304.6150 158762.2913 185743.6403 164699.7854 146185.2785 116532.1443 108155.1411 155725.3360 111224.9402 84412.5365 165985.4691 182137.9612 115826.0442 110686.2753 73152.6323 89216.9049 109008.0928 100873.4077 115454.9145 85151.3926 117825.0181 106825.2213 169634.0444 128903.1888 116767.7857 158562.8517 130730.4395 144759.9475 133491.5484 119503.1398 109361.2053 105165.1148 106246.4484 125855.4518 TG(53:2)_M+NH3_feature3 TG 53:2 55774.1825 45575.0105 114454.5713 132233.6919 137930.7270 151102.7631 301888.2732 291677.4968 364458.9826 543331.7879 1112.2160 1165.0714 1130.3264 1121.6188 1155.1969 1120.9772 162526.3148 135128.8168 175397.3644 172739.9042 157057.2374 164160.4969 148738.1293 142962.5628 172698.6839 229558.8199 220062.9712 384508.8273 154241.3449 198072.9307 2271155.7300 186534.6445 163979.4639 91598.5002 251485.8549 671449.4430 296516.1377 239882.6523 389494.1843 140605.1754 88659.9185 62273.8101 140385.9644 121451.2790 156538.8156 709733.2216 1113916.7830 163668.1423 178849.2173 71234.6308 64772.9353 113351.7460 64347.5467 95958.2199 127985.1027 129965.3346 130890.0739 194004.8206 291946.3893 137160.2925 297261.4745 168207.4921 303858.3792 210452.1898 202548.5905 107143.3108 128264.9799 140706.4868 174582.2843 TG(53:2)_M+NH3_feature4 TG 53:2 836867.0870 1160381.5920 1265533.6180 1743663.0560 1636651.5960 1551838.9350 3281269.8570 2840344.6070 4143929.3920 3568444.4320 327.3752 344.4722 334.6963 367.5026 380.9227 370.1929 1943390.2020 1921033.3070 1966344.0770 1978444.7590 1971387.4300 1934860.7350 1962976.2520 1909239.5740 1963483.3330 2183031.5610 2544553.0620 1453651.4100 1366160.6920 1763050.7480 7211570.6640 1573767.9140 1541025.3270 1031651.1800 3191121.0910 4060313.9700 3464801.9200 2716849.0480 3998231.5950 1854058.3320 1255705.0320 1374657.3980 2118926.0520 1719386.5100 1356608.5770 2990784.1270 5668318.8730 1761822.3200 1899330.1320 486446.1606 724339.3993 1295298.7300 955601.2848 1324435.4960 1316709.5660 1575739.5430 1518538.2500 2165484.4740 3952223.5110 1316945.1640 1200180.9500 1583554.9850 1645563.8270 2515251.2690 934100.1844 1121078.1170 1251072.9460 1358149.5190 1837839.6800 TG(53:3)>TG(17:0_18:1_18:2)_and_TG(17:1_18:1_18:1)_and_TG(16:1_18:1_19:1)_and_TG(16:0_18:1_19:2)_M+NH3_feature1 TG 53:3 824908.1350 1299819.3040 901084.3352 1566290.1600 1822684.7020 1337646.8140 2326413.9490 3151172.2980 5238596.1360 1991217.1250 360.2386 409.2229 370.6109 889.7152 806.7611 514.9307 2639836.5710 2699388.9820 2382270.2400 2410235.1650 2819676.2070 2553363.5740 2626893.7320 2535888.1400 2597213.3900 4639915.1060 4681330.4940 2587503.9220 2622393.1440 1963600.0330 4252448.7620 1807851.3550 1477695.4020 1193935.7720 2296512.8690 4622004.0130 4051332.3510 2062272.1550 2302895.2380 1973622.2580 1325527.4210 1452210.5280 2262610.8700 1723788.8600 1379798.2880 3849557.6160 2413603.5270 2723289.7850 2634114.6960 561000.4432 805495.2214 1459733.4600 985360.9952 1672010.1460 2379300.4190 2760905.3080 2635358.9420 3306806.7260 1892272.3460 1538492.3480 181474.5517 1440434.9400 1419303.7330 2286778.7900 449501.8450 1543383.1650 1999698.2420 2096426.3430 2439639.8700 TG(53:3)>TG(17:0_18:1_18:2)_and_TG(17:1_18:1_18:1)_and_TG(16:1_18:1_19:1)_and_TG(16:0_18:1_19:2)_M+NH3_feature4 TG 53:3 180393.3628 257416.1197 477239.0831 454177.3420 423378.0718 857705.5687 1009545.9220 920905.3551 1758924.5960 972028.5789 315.7247 306.1457 306.7985 288.7464 294.1615 293.7045 747504.7081 600596.3602 661462.3128 615294.1362 596726.0852 645440.9073 549378.5039 853736.4103 600548.5015 1222085.1960 1059688.0190 906043.2510 743735.3415 475507.8407 1895182.7790 464172.7826 318236.8291 230517.7883 1335821.5870 1437736.4720 908277.3930 3677657.5180 1204673.7760 622317.5835 219504.4187 307591.7326 430247.7341 576307.9870 392457.3681 891100.1116 1455539.6640 639169.6880 607832.7938 95089.7739 155346.9692 327751.9847 190592.7383 291452.4291 555793.7724 605885.3229 592014.3099 1046294.0640 1111514.1170 333721.1503 305179.2969 409251.5554 356761.7769 522088.4688 281182.1532 293885.5060 423178.5129 707157.2167 638436.1842 TG(53:3)>TG(17:0_18:1_18:2)_and_TG(17:1_18:1_18:1)_and_TG(16:1_18:1_19:1)_and_TG(16:0_18:1_19:2)_M+NH3_feature5 TG 53:3 851751.8921 1122614.4570 1295230.1970 1671111.3270 1882260.5530 2357752.9700 5070993.0200 4114705.5890 6241129.6410 4804057.2250 385.3414 402.8648 412.9143 420.0599 408.9833 415.3911 2579659.9770 2537366.0300 2552435.0670 2428312.4530 2539115.2220 2604110.8860 2658126.0910 2416869.0610 2564964.6440 4016152.1510 4124178.3800 1797737.5470 1831340.2230 1796882.2770 7307948.6020 1624354.2620 1639399.7460 1175587.7650 4483551.8360 4950730.6720 5318074.3670 3745935.3200 5467269.3980 2098545.4810 1286110.5350 1633375.2320 2669415.8640 1948823.3820 2038783.4080 4139594.0530 7801265.6830 2547597.7770 2760471.1350 500509.5112 753453.3376 1367672.3250 1009656.5450 1457079.3990 1939260.0530 2237741.0030 2658728.3990 3203699.4920 4393310.9130 1342616.6830 1259506.3980 1296438.5570 1484559.9240 2465214.3690 1391943.9520 1203813.9130 1746805.7210 1687395.3910 2369392.1850 TG(53:4)>TG(17:0_18:2_18:2)_and_TG(17:1_18:1_18:2)_M+NH3_feature3 TG 53:4 670897.7498 946981.7604 710373.8338 1095675 1198489.5830 924107.2042 1723678.6890 1998625.8890 3432143.0060 1988752.3430 645.8866 448.4882 528.5482 446.0747 1039.9888 430.6295 1777864.8960 1871601.2860 1978219.2440 2060104.9200 2061844.9200 1630776.7900 1782095.2490 1853971.0610 2022710.7080 3382677.9940 3558012.3410 1819273.4240 1786867.5460 1407311.7370 1742861.8980 1267553.0590 1263342.0150 883011.1541 1222422.0240 3233862.3150 3217383.8630 1289429.3480 1477923.7800 1271738.0330 990757.0459 1104415.9600 1588133.4140 1451018.2470 1380080.1310 2500052.6650 2982901.4400 1917452.8590 1906055.9160 401783.4925 568728.4450 1016487.0530 777900.1369 1131976.6850 1537540.5090 1970688.4650 1989174.3700 2032675.2530 2064128.5330 1034693.8140 965565.0651 929127.6521 949956.6070 1514135.8530 1408079.8010 1119430.4680 1410174.7740 1452735.6290 2075942.8090 TG(53:5)>TG(17:1_18:2_18:2)_M+NH3_feature1 TG 17:1_18:2_18:2 122856.6084 276960.2434 531511.8096 310801.6454 387206.9008 753380.4593 997903.9620 1117419.0060 1589063.1710 1043996.8920 398.6729 385.6154 417.4156 415.7921 422.1629 425.7181 614197.1484 629626.2538 660428.1433 599819.3645 716212.2269 663330.3336 618697.8437 648961.9941 602220.1074 1439801.4570 1549243.8140 833820.1411 833219.3204 381830.8388 1598788.6160 376656.0637 399090.3140 132024.3796 952790.8769 1073362.5770 1155294.2030 915009.0091 949772.3139 515406.7225 275249.9643 373649.3920 498707.3498 380571.3907 498777.5369 1051030.3330 1394111.9320 689042.2459 737186.0600 142224.4955 190248.9365 385246.1341 302333.0687 408411.7213 740321.9073 766005.1687 688931.9384 845481.5763 938585.9381 391734.6735 265458.4136 369969.6079 221686.8181 570700.1395 452547.4847 240791.8279 501222.3856 580602.1866 817431.4414 TG(53:5)>TG(17:1_18:2_18:2)_M+NH3_feature2 TG 17:1_18:2_18:2 246295.3919 363117.8419 441254.5172 355862.9884 522040.9181 423711.2981 846033.2408 787235.2153 751258.8202 658296.3105 1483.9242 5024.4150 4065.0466 1053.9741 2307.7676 2076.4153 499235.3639 478423.7474 344058.2893 376138.8038 392895.7319 303438.2380 438541.6987 473209.0537 447374.5377 726740.5468 619183.7898 350683.0464 258345.1128 510811.4712 339257.0726 408405.6611 437906.4632 360399.1129 659744.7623 427538.0183 819986.1774 447360.9157 964509.9963 485268.8447 412045.7661 439908.9620 476828.4952 506406.7577 301408.5830 485377.2980 994598.4167 333125.2422 448063.4128 187582.3075 296967.8794 373162.0145 261362.1396 516048.1334 390767.2792 345176.9248 402970.8876 539489.6938 556539.8999 378420.7945 374929.4836 343033.2373 310796.6550 340051.9189 292376.6092 367922.5442 423345.6763 458271.2559 323743.8095 TG(53:6)>TG(17:2_18:2_18:2)_and_TG(17:1_18:2_18:3)_M+NH3_feature2 TG 53:6 282706.9359 335624.5066 469190.6400 419424.0763 649184.7746 1232829.7410 1759582.2860 1882752.7020 2228001.8960 1727717.7850 1678.7618 1620.8696 1541.2345 2267.3134 1699.9461 2237.5477 984530.5850 957032.7391 980241.4724 954044.5529 965802.9037 996617.1424 976513.5897 960887.4247 970843.8565 1800307.6820 2094179.0800 822629.4814 881297.2774 741154.5364 1045054.3150 625182.5028 432898.2691 414003.4754 1911125.1720 1331168.1770 1849960.0350 1609005.6230 1658677.6850 631614.6394 435956.3883 726752.5013 932548.7486 713128.6971 1233037.4830 1684317.0470 2351590.0070 1204881.2270 1053370.2590 149147.7945 296757.6120 372773.0247 350188.3239 463509.1308 1126267.2360 1065529.9600 1633126.6130 1560928.0130 1293430.0530 493995.1425 451006.7791 304859.3266 255880.3482 483799.5959 830568.8703 551830.1536 788203.7885 589574.2291 837652.8552 TG(54:1)>TG(18:0_18:0_18:1)_and_TG(16:1_18:0_20:0)_and_TG(16:0_18:0_20:1)_M+NH11_feature3 TG 54:1 522742.6853 975691.5832 487119.4667 1081247.2410 878277.5177 797377.2238 1196521.7080 1268825.6000 1846891.1280 1051772.5900 250.4131 322.9532 281.4151 260.9545 330.0177 267.8673 1037464.1040 1111709.7950 1083317.3030 1061279.7430 1050018.5280 1090588.8060 1101763.7730 1091407.1720 1035139.9750 615703.7480 680536.0469 461250.1591 530869.6281 1258686.0160 6589957.5960 1295356.5920 700688.0682 614270.7463 1859258.8470 2763571.1040 1355690.2790 1216053.8630 1320381.8170 989355.4502 784200.3908 923775.7629 1235673.4360 1139902.9980 811701.8623 1230258.4170 1796888.0780 1210022.9070 667809.4911 307285.9628 398320.8905 1111856.6910 484089.0907 954898.6737 529806.7310 930564.5228 850385.4501 661433.0354 3244250.0950 754708.4454 616999.2577 833979.7427 663538.3679 1381801.8170 489478.0207 696077.6478 712878.2610 706211.5930 908766.9589 TG(54:1)>TG(18:0_18:0_18:1)_and_TG(16:1_18:0_20:0)_and_TG(16:0_18:0_20:1)_M+NH5_feature1 TG 54:1 341735.2056 380180.2965 571827.9728 521561.2827 549212.0824 531895.8614 538585.0555 406121.5702 421215.9881 553329.1862 471.9137 454.8793 426.2385 344.6481 316.2865 320.1375 349484.4109 476547.0542 525964.9235 553679.5171 494920.0511 465049.4664 451658.3788 473433.7587 438328.1830 476873.9916 499623.2780 374337.9244 498411.1473 530787.5324 224109.0891 346075.5303 560827.4534 472889.8118 363986.4363 370843.8146 394473.1608 479551.9705 417628.5437 569397.6398 455680.7004 529284.1322 528529.5047 619666.2947 429580.5102 455034.4582 422512.6113 438247.0695 492973.6927 350624.4793 430797.6829 514261.1518 420119.6470 527825.6657 437057.4184 400603.6423 424380.2998 33731.0980 321326.5077 350231.1726 502518.3223 453411.6423 549289.2280 486938.0968 442492.1922 296477.3145 452163.3722 495411.2185 497737.8465 TG(54:2)>TG(16:0_18:1_20:1)_and_TG(18:0_18:1_18:1)_M+NH3_feature1 TG 54:2 479887.7392 455314.7021 663642.3428 534028.5626 527888.9445 585787.7001 608023.6068 324671.8239 463480.9578 585035.3451 5028.5719 2499.2747 553.9388 2643.3425 1165.3227 1116.7208 383686.9351 494342.4236 608665.3420 496194.7067 606501.8255 554750.5608 536846.3896 575562.3952 367006.3396 466276.6204 504072.1004 373607.0271 437817.8333 618851.2832 153044.8511 516089.1452 600485.0660 574135.8871 416580.1853 439334.7936 434447.6570 572574.1352 531866.1138 285843.9670 603736.7033 627679.2680 372100.2741 541805.8547 438443.5003 537045.4499 366774.9622 589358.3304 316501.4733 376750.5891 544283.2859 496925.8466 440197.9342 479256.5030 357300.9585 546162.1726 577687.9509 426842.4200 258345.9157 612307.6976 598300.7063 555714.9658 437678.8761 608565.3198 446746.2148 465874.5990 505767.9717 458681.5145 496124.0535 TG(54:2)>TG(16:0_18:1_20:1)_and_TG(18:0_18:1_18:1)_M+NH3_feature3 TG 54:2 5445655.7080 8798531.0220 7206549.1120 9904112.9450 8849039.7870 9628830.4420 15188547.2400 15133176 19945405.8300 15397104.2100 1553.6667 2929.8303 2839.5719 2097.7061 3412.5593 3229.5565 11283213.4500 11493778.1300 11326141.2200 11108678.7400 10946097.7600 11438327.2800 11564151.6600 11256058.9500 11258287.2000 11232803.1900 11908287.6500 6776313.2590 8398828.4020 11001776.5700 44417346.3000 12345243.6400 7951442.0220 6480824.6280 18121018.9100 23297754.9600 15647400.4600 13224867.4900 17547078.5900 10701383.0200 7320135.8010 8308131.4080 12732904.4800 9269807.6830 7745455.4210 14776662.8200 23755700.4300 11276717.6600 9735899.4640 3331483.3270 4373001.2270 9515816.7730 5955782.9130 8207259.7360 6776266.4890 8402554.6240 8376865.3960 9931686.1720 25348142.3200 7825410.8080 7424246.2250 8673928.9920 7982483.1440 12368311.4100 5114169.0020 6044610.2280 6687143.7280 6817513.9050 9264304.8600 TG(54:3)>TG(18:0_18:1_18:2)_and_TG(18:1/18:1/18:1)_and_TG(16:0_18:2_20:1)_M+NH3_feature8 TG 54:3 5272671.8460 8155535.0420 14047444.6300 7039447.3820 7692811.4930 10818902.3700 19974397.6600 15699377.3800 28928948.4000 11479654.2900 2853.3884 6106.8703 6178.8994 1685.8729 6211.4376 9225.8520 11402964.9300 13022163.1300 12118033.7200 13359783.0900 12497487.8600 11226221.0300 12172350.2300 14136127.2100 11027563.6500 11687363.4100 13349835.1800 6232657.2790 9777817.3750 9550994.2940 58354943.7500 10278197.1500 5236644.5860 5562711.4890 19926710.3500 25139365.3600 13055671.1700 14651756.9100 19470819.2900 8581485.0050 5286313.8040 5702437.1980 9676176.9680 6325617.3960 12968523.2000 21327725.9500 29824362.2800 11617439.2600 17075910.3700 2842935.2210 4144596.3270 7271879.6390 5119736.7360 6976158.5280 7684106.1070 6932669.9200 10427800.3900 11786457.1400 19666533.5100 6787948.3580 4507935.5860 6141846.1400 6653432.2310 8270311.3160 4379223.1210 3268047.1590 5090041.1180 4224246.2530 6750363.4280 TG(54:3)>TG(18:0_18:1_18:2)_and_TG(18:1/18:1/18:1)_and_TG(16:0_18:2_20:1)_M+NH3_feature9 TG 54:3 9342358.6490 12715886.9800 9487144.8960 15943864.2600 14810844.3000 18638127.7200 24041626.8900 33189613.1200 32103882.7300 27957917.3900 2094.0370 1172.4486 437.5288 1856.1175 2231.8376 1075.3424 23053531.6300 20947277.1600 20558417.7200 19423662.2200 24509209.3300 19180026.7000 19836886.7300 19633263.6800 24656338.9000 27500446.0400 29729564.1300 15050279.8400 15399262.9700 15681857.4800 48778955.5500 17504230.6300 12933523.8700 12045386.6900 29356286.5300 41766541.7700 31156501.8800 23219308.5100 29695509.1000 17640240.4800 11371233.0600 15193968.7000 23146387.0300 15685966.5800 13827204.8700 32605483.9500 39655645.8100 22955921.7500 18258897.3300 6607188.8640 7156717.9940 15085137.9400 9661152.9270 12539428.6000 14557859.4200 21336909.1000 17636579.7600 21150067.0800 37965234.3900 10725892.5400 13104938.2900 12645630.5800 12112920.3500 20625158.6200 14444134.2900 13392022.7900 14298132.7200 15238802.9400 14681694.8200 TG(54:3)>TG(18:1/18:1/18:1)_M+NH3_feature3 TG 18:1/18:1/18:1 315621.9464 429610.5159 481542.1840 332906.8565 471073.3606 431356.4727 396838.2507 384237.6749 294999.1850 392800.3557 1210.4965 4081.9949 3289.3825 726.6190 1589.2115 1428.3086 334914.9425 410498.0835 455803.7628 414460.7530 429113.8828 396772.8106 415742.6219 359236.4059 423617.7802 394253.1087 358801.1249 303746.1591 423742.7940 443727.5170 369122.8207 430360.8715 418386.4248 385301.1709 389056.8043 371273.6389 383924.4875 361871.1207 414849.0650 488809.6221 365314.5935 436019.3803 435183.2847 462555.1959 371265.5454 328460.4285 352075.0495 372965.9370 394280.0957 281155.6698 332129.4889 328335.7252 236022.3540 369099.7072 387095.6038 349673.7565 373656.9452 385039.2522 276232.6477 432915.7082 478388.1394 354362.2674 375395.4122 386048.9958 393238.8737 343798.3974 395560.1172 405933.1838 426120.8477 TG(54:3)>TG(18:1/18:1/18:1)_M+NH3_feature5 TG 18:1/18:1/18:1 26905.8442 36593.6453 66636.1458 52460.9958 30820.7026 28569.3761 25794.2311 39769.6553 34668.4961 31961.0655 167.5034 167.7147 177.4943 97.9711 96.8025 91.8685 22834.1777 31209.0446 30186.9394 30063.9052 26819.7119 25821.1590 31865.0318 29447.9251 25582.1207 42960.4837 36155.6481 40139.2888 49505.3226 32341.0322 148820.7699 258219.4153 19220.3385 14538.2234 26772.5935 17067.0511 20298.9508 28907.9613 46834.6430 30740.5493 21000.6726 12736.0901 15011.9785 16935.8205 4979.8667 14364.1969 23077.8783 15439.9742 20536.2419 13418.3865 24694.6836 36744.3391 24887.6310 34505.8289 15948.9895 26123.9790 6325.4799 20183.0922 42957.4576 59272.0560 22559.9319 73855.6717 48481.2108 50121.5291 11748.6205 33019.3640 24283.7194 51907.3280 39992.7176 TG(54:4)>TG(18:1_18:1_18:2)_and_TG(18:0_18:2_18:2)_M+NH3_feature3 TG 54:4 8263856.0880 9076921.2290 9187562.4750 13604574.0800 14186696.9000 19028150.0800 22530177.7600 25300895.6800 40809843.1700 24989855.8700 589.7446 1763.0659 1715.8568 695.0862 1337.8130 1406.4234 18338420.3000 17116707.6200 19945779.9900 17552856.9400 17980201.1400 15958749.0300 17012537.0400 19956173.7100 18218118.3600 15280311.1500 20632340.4900 11385444.9300 13664254.0300 15659044.1200 14398142.8400 6518779.1220 8359673.1540 10615319.0600 23380306.4900 24598459.7300 19211508.0700 23547915.3500 28974704.3700 13077604.7900 10973528.3700 15372753.0400 18082941.0100 13534875.1300 21897602.5300 23207023.8300 1394720.5550 18605581.5900 18664209.7300 6905975.5670 9073573.7210 10182132.1400 10895382.9200 13063214.3500 21637029.1900 19677769.3100 25435044.5000 30759848.7100 18910922.2900 11370596.2400 14387282.9000 7666167.2410 10586314.4600 11571348.2600 14023172.1300 11411781.3800 12286888.3800 11895821.8100 16012407.2900 TG(54:4)>TG(18:1_18:1_18:2)_feature5 TG 18:1_18:1_18:2 5239405.0140 7751127.0690 5960361.3490 6875044.5620 11057750.8200 15949597.5400 16933366.3200 1303094.3100 15507487.6300 19088918.3100 2211.4998 1331.4359 2345.7210 1029.8310 999.5942 1614.9160 9857279.3640 13697425.3700 10740018.6500 12577466.6500 9929697.1220 9097605.3690 10071354.7200 13685685.5700 771775.6988 21963266.3900 7507748.8010 19391214.1600 3852406.1150 7806653.9530 22139825.9200 8864766.9420 5815874.7010 5353484.5150 14479440.0900 1814610.0420 24152098.8300 19383123.8100 21798908.5900 10713543.6900 3770777.8610 7092847.6350 15395032.1200 12189495.1600 8801890.1390 14077969.3600 28236556.0900 13858131.3500 8031256.2010 2135017.4220 4227864.9920 11468414.6400 4498983.6020 10171364.5800 12407648.8200 13441454.2200 21196822.6400 14542531.1700 14789048.4900 11065978.1000 9411421.1900 4980719.9120 6800145.6850 9079471.3530 1041931.5210 4841464.5180 7283382.4340 12133063.9300 12410518.4700 TG(54:4)>TG(18:1_18:1_18:2)_M+NH3_feature4 TG 18:1_18:1_18:2 17358498.5300 28055276.6300 32964402.5100 29193547.4800 24849562.5600 37504293.7400 47868508.4300 75538461.7200 59362578.3000 43271420.6200 4238.9707 10027.2898 10350.1193 4614.8320 8922.6400 9852.0303 52569576.7300 37331794.4300 34022153.5700 37208858.2300 46205431.9600 45172068.5300 47784471.7300 33799654.7800 45027539.7200 45635378.1400 44081097.9600 25005100.0500 34492891.0500 32634352.1000 93675839.4900 27687609.9800 20383633.9200 25774562.7600 55642344.4100 88445870.4100 44501023.0500 45612255.1000 46051418.6700 27489419.8800 16364862.4400 31130081.4300 28905385.6700 23796309.5000 38451192.2100 65158095.6800 70153211.1300 44070530.1000 52143870.4800 15194239.4900 13212442.4700 23574513.2300 22905733.2400 23045801.8100 34652896.5600 29500867.8700 20028840.6700 38837861.8700 54542362.8800 16646645.0300 16502921.4300 22571679.9500 20398622.4800 39451775.9200 32173490 24973989.1600 35951517.2200 26116586.6900 22023586.3200 TG(54:4)_M+NH3_feature6 TG 54:4 736138.2112 874581.8892 806268.9650 927397.8839 1210107.4760 1149940.1800 1818348.7260 1610855.6820 1336686.6470 1852902.9490 438.3625 717.2004 737.4154 501.4056 575.3634 481.4424 1365417.5900 1264972.6570 1168409.8560 1219433.2820 1259811.3050 1278455.4740 1375175.2370 1147902.6290 1328534.0260 1365691.5070 1342562.5630 706602.5324 758085.8923 1448162.6710 2762163.4000 1177393.2180 881850.4567 769160.0653 2222886.2630 1947582.7080 1812991.4990 1598146.1840 1471188.6950 712655.5825 897050.7573 1235752.3770 1464674.3920 1246530.5670 1485263.9500 1034884.1890 2977246.7950 1199395.7000 821957.2422 423990.6188 615597.0647 924548.1547 622742.8455 548700.0750 862520.4819 919333.7790 1398541.4470 1354083.9980 1463005.0260 777593.1641 920567.7063 559940.6709 583451.0334 751727.8676 751116.1850 710981.3127 898284.5123 843092.6014 1105462.9900 TG(54:5)>TG(18:1_18:2_18:2)_and_TG(16:0_16:0_22:5)_and_TG(16:0_18:1_20:4)_M+NH3_feature5 TG 54:5 22367621.7000 25885047.6800 31160103.0500 24680393.8100 40723699.5700 36581126.3600 52997278.4700 54194742.4500 58502516.4300 59704276.5700 308.7298 313.7857 313.9243 333.3385 346.6771 327.6458 35277843.3500 37879257.1500 35926721.9600 37651417.9100 39354600.0400 35123238.5100 38337540.0900 33360633.5000 38163703.1700 36889739.5900 20845357.4800 20868965.3800 21442440.1900 47654103.3000 44466249.8200 36010903.0100 29237864.0300 26905291.7300 51268572.4300 49487722.5000 59185726.7500 48764880.8900 57942467.5200 43384627.7900 32338217.4100 41702591.3100 49593305.5100 42641822.3000 40285581.5200 42853481.5100 82798504.9100 35850596.1700 36156439.0800 12035949.7200 21070907.3700 22760557.0900 19841968.7400 26479737.3100 30430117.7100 23497901.5800 36597991.2800 44019839.7900 36051327.2300 25356868.8800 29835251.7100 17774027.3300 17826585.4600 27823872.9400 23976737.8000 19873298.3100 29458474.8400 24233445.2900 27889274.9800 TG(54:5)>TG(18:1_18:2_18:2)_M+NH3_feature2 TG 18:1_18:2_18:2 646426.4033 1085936.5570 1154925.9780 874996.3243 1032518.1310 449544.0635 419872.4500 226050.3961 226138.4296 206294.8886 382.8608 364.1692 380.6920 221.1444 217.4652 214.1310 294692.8116 461271.6431 518683.4347 599898.2636 590132.4012 495846.0098 592755.4038 477728.7377 522759.2230 274154.4970 240729.8510 169879.1967 82055.5847 949430.6731 368058.4779 1074004.8500 932863.9514 817654.9784 248517.5984 204241.6825 395360.3126 398264.7434 389857.0321 1129599.9190 896617.1567 829393.1253 899981.6022 1050008.0470 160864.5509 251117.2331 33759.1114 156261.5100 150716.5007 419419.2996 830249.6842 724980.0790 630254.3439 921581.9595 184251.2699 449063.2779 268947.8292 87336.0429 273287.9814 1047591.2880 809997.0324 911722.1630 755055.5323 1198452.3940 494045.8228 502994.5378 480623.9952 566435.5277 559634.5195 TG(54:5)>TG(18:1_18:2_18:2)_M+NH3_feature4 TG 18:1_18:2_18:2 15789491.4100 22277536.2600 27420215.4900 23826042.4700 28732328.1900 40692833.3000 63256689.7500 46940613.7300 66873810.4200 30337923.5900 2188.2841 6836.7105 8511.3492 2653.6887 4102.9701 3987.8733 26730026.3500 38589264.4800 38728768.4400 44913168.4900 43567404.6400 44460680.4100 36807037.7400 43876168.0300 24180395.3200 63726662.2200 60386528.0200 20570047.8500 34914415.3000 26359429.4900 94547434.9800 28804178.3500 22868645.1000 16673435.8100 74402622.5500 71496191.3400 66298640.1200 63645977.0700 45685274.4200 30316132.8000 11443235.5800 27343017.2600 36356391.5200 25980787.1900 48239175.5900 74673306.4400 97814752.5500 47466674.6100 49403410.0500 12065119.2200 10121095.3000 24958237.5400 12319513.0900 25110531.9200 49772251.9000 40524156.2100 63408893.1500 57570424.5900 69851108.9000 21912281.2900 15225253.4400 15276662.4000 15038151.3700 18675599.1300 26437863.0900 21072352.8400 33585702.3800 28672775.9000 19635504.7500 TG(54:5)>TG(18:1_18:2_18:2)_M+NH3_feature5 TG 18:1_18:2_18:2 281585.6989 390782.5004 900694.1199 501574.9240 965454.0881 2583566.8060 3516884.4450 3607357.9720 4503045.7860 1939799.9480 325.4529 309.8207 343.0218 382.4280 385.7329 389.7172 2052115.5100 1926131.9660 1702436.7890 1835374.1630 1915561.9210 2114299.9280 1946122.9940 1765719.2000 1970038.1520 3360015.0090 4240180.5030 1493239.3720 1416573.7000 693830.8405 5205838.9220 1037354.0550 412719.0556 649072.9657 4241278.6680 5236602.9400 3932261.7600 3138833.0920 2437206.1380 223830.8316 443558.0456 1279485.3190 1713487.4770 1045168.1670 2750055.0950 4269179.5560 6406024.9190 2948093.7400 1890243.5500 308406.7152 242600.1854 524917.3540 584240.6369 816776.1001 2401131.9710 2210074.3060 3783115.5520 2914433.6710 3274932.4010 684020.9980 567857.8669 249683.3292 305489.4768 557799.1768 1611743.9230 883435.8512 1392951.1490 1104058.2830 1206682.6750 TG(54:6)>TG(16:0_16:0_22:6)_M+NH5_feature6 TG 16:0_16:0_22:6 668402.0681 864203.5419 885414.5266 1097489.6500 1226527.2460 1546082.5910 2310704.7800 2581831.4940 3173543.7280 2914091.8370 322.7835 598.4283 640.8404 344.3408 596.6074 522.5976 1718134.8370 1713029.1380 1801218.9080 1642820.8290 1716974.1760 1807659.6840 1567921.2440 1610426.6270 1703423.3980 1184874.3490 1551622.5760 695121.4759 894125.5377 1396413.1970 4109112.8420 1052963.0520 843639.0556 919957.4541 2753152.1130 2639622.9820 2516585.7210 2572381.2630 3673108.4760 1151009.0670 1021493.9880 1164913.3260 1442317.7950 1159122.2090 2004042.2070 1914452.9730 4512749.7790 1522897.9840 1625273.1320 362043.6608 706230.6039 1001726.6670 825247.3007 1103045.9950 1874962.1780 1532807.0510 2142811.4650 2491720.7600 2869472.0740 1010679.9870 1153033.4870 79747.6293 690554.8508 944157.0064 939565.2199 946418.2497 1215599.3490 890911.2132 1250355.3380 TG(54:6)>TG(16:0_18:2_20:4)_M+NH3_feature5 TG 16:0_18:2_20:4 34952317.9300 39725727.6700 39287335.2800 34525782.0200 57914982.9300 59399373.4900 79232096.8700 74953772.7800 77477209.3600 80571110.8200 312.3886 335.0242 323.7145 375.5246 360.6231 387.0468 50386320.3700 52189939.7300 50863083.5800 55206030.6000 54149834.8900 55596045.9700 28941383.9500 59387158.0300 57466133.0500 69847635.1700 79062926.7800 32961629.5200 40105580.7000 67904415.6100 59118260.2900 54312696.4800 17235481.7400 38571224.5400 75445760.5500 76519282.3000 46141580.4700 62167659.0800 83378048.1300 57177109.4600 46838097.4600 60397201.5700 75400174.6000 59270976.9400 65556523.0100 69212487.4800 111279856 55102924.6100 55058749.4800 17259772.7200 32310239.3800 31030090.7000 31325120.6400 38088836.0100 50323666.8800 43847485.3800 65729998.3700 69304641.0200 59702748.4300 38622294.2200 45125013.3900 24303309.4600 24049068.5700 34792686.2400 46156652.8700 34601005.6300 45319085.1200 34162427.2400 43855613.4100 TG(54:6)>TG(18:2/18:2/18:2)_and_TG(18:1_18:2_18:3)_M+NH3_feature2 TG 54:6 126107.1710 136864.9014 252510.7365 154043.2446 346549.2119 470864.1621 1304660.7660 954130.8605 1074665.2410 805664.5200 477.4391 476.2190 507.9938 589.1790 562.0358 560.3288 357669.7035 413831.3847 360209.6873 355089.5634 369480.6453 335607.2865 395927.9479 362759.3076 387925.0781 722763.0531 850000.6704 318359.9402 300343.0984 350049.8920 463627.5236 226213.8084 151318.1643 130816.0459 701325.0618 725896.8805 902389.6417 614110.8115 844208.6454 226758.5825 149129.8418 243992.5466 382608.0511 261855.3316 448028.9411 464261.4948 1417114.4150 440878.0792 332296.6318 61237.1156 108283.1099 127669.2899 119265.7293 211816.9941 652080.5431 468149.0482 740696.7851 728800.3288 393096.2534 159217.0058 198395.1211 138053.6226 84302.9084 175177.8484 277426.0199 227190.0400 293791.5037 325098.4480 357983.1057 TG(54:6)>TG(18:2/18:2/18:2)_and_TG(18:1_18:2_18:3)_M+NH3_feature4 TG 54:6 6114053.0680 7762847.5290 13691922.0600 8598855.9570 14264881.3000 25207974.4000 35854617.7400 32361245.2600 37810810.0500 21040559.0700 1362.9433 1273.2278 1320.1232 1364.0197 1321.8372 1491.1454 19480209.9900 18727014.3300 20125073.1000 19637970.7600 19696065.4400 19960549.4900 19151941.1800 18808668.9400 19832422.0600 30724263.3300 35141436.6900 16245233.0800 15596787.7200 13745110.8900 47723940.8000 13401822.4600 10188391.3300 9330701.5290 37379704.6200 47423272.4000 32772403.7400 32936673.7200 25800554.3300 15206906.6000 3659280.7340 14126810.6300 18919774.2400 12112465.9600 26683524.4500 36060754.1400 44895112 25278236.7700 20098225.0100 4414415.0360 5562787.2520 9318046.6770 7993218.4030 10949402.6500 23662740.6700 20452769.8900 37291978.2900 28136805.7800 27765272.8500 9955003.3460 9891191.7660 6275759.7130 6270964.7540 10501041.5500 15578359.0500 9800444.2990 14413839.1800 12880494.9800 13460682.4100 TG(54:6)>TG(18:2/18:2/18:2)_M+NH3_feature1 TG 18:2/18:2/18:2 120966.4518 133987.4553 272502.0972 154396.9821 251823.2712 356875.0756 514063.9309 1250858.2350 699255.5338 326807.9966 272.7037 281.7402 274.3711 303.0295 301.5497 310.1300 294508.9793 289070.6722 287655.7181 283702.1447 289384.7967 296550.9100 291918.2231 294205.1966 284442.5168 649215.7080 734624.2646 250742.3536 259330.0320 260131.6282 534095.0388 233647.7511 160471.7534 144865.7143 503224.1806 649011.1582 550010.3399 476969.2978 285896.8714 263017.8645 132458.9927 248270.8084 341726.4494 239217.4166 351466.6377 499225.1257 411345.6718 339568.9210 242023.9194 65786.1747 113586.5671 117935.6851 158359.2480 197735.9206 391758.8647 404546.7857 599833.2295 467871.7042 415018.0736 347236.5784 124626.2980 110642.0256 96925.7481 172584.7727 237646.1184 146078.4343 205964.8913 134401.5145 213906.2038 TG(54:7)>TG(16:0_16:1_22:6)_and_TG(16:0_18:2_20:5)_M+NH3_feature4 TG 54:7 5323589.5290 7791355.2570 13234671.1700 7581261.3530 12368106.6300 16904238.3000 21997637.9000 21979154.9200 26865352.5400 23770560.3000 331.3962 343.0258 356.0003 362.0828 351.9435 352.8324 12589625.3800 12702487.2800 12545233.3300 12376549.5200 12460730.2500 12371590.1700 12157861.1900 12216711.6300 13220020.8200 18354945.1100 19350271.2200 9316280.1090 9625066.7400 13656373.0900 12759834.3300 11257314.5100 6655623.9480 6261402.5140 17741099.0100 17550660.2500 21896163.1200 35802141.3400 21399389.8900 10927662.5700 6474033.9710 7953079.0750 11919462.3100 11226561.2400 12426993.1000 13672097.2500 27618191.4200 12082998.5600 10709070.1600 2921073.7440 6370350.2180 6161213.5050 6698101.7980 11125888.9700 17904194.4500 18851266.4600 22117423.9700 22162486.1500 14934560.6800 14023216.3500 8448359.0290 6828506.1310 4995104.0880 8532898.9160 9722060.9800 9449651.2090 10167944.6000 9167013.2000 12975690.6900 TG(54:7)>TG(18:2_18:2_18:3)_M+NH3_feature1 TG 18:2_18:2_18:3 45460.4781 87732.5066 47261.2527 99804.8029 146019.9716 172307.6778 287571.4174 267226.6220 337133.0306 253064.1093 602.1727 619.5726 610.2489 665.5219 673.2806 695.8286 145090.2067 165867.9591 80161.3280 143207.9637 139283.7479 152413.3583 136610.1848 138438.9627 134483.0639 231234.8755 255660.9685 70310.1204 122538.2139 158140.1363 185541.9843 111310.6083 72360.7242 73937.8427 202635.6554 189611.5007 240196.4612 226904.0137 237616.9836 125919.4102 33741.5448 108567.8674 131055.0661 32536.1503 165044.9811 74541.1470 347664.0976 143359.6933 119134.1992 34454.0788 78071.8328 76672.5137 103220.8745 144699.5988 211580.3927 204672.0189 131420.5180 271342.7439 181186.7058 139936.8120 78958.6790 96913.7125 71828.2668 104849.1496 110950.8069 95142.4986 132662.9124 37565.6115 166700.1380 TG(54:7)>TG(18:2_18:2_18:3)_M+NH3_feature2 TG 18:2_18:2_18:3 24634.7833 41699.9616 46805.0975 37189.6847 53410.9726 88019.2564 100419.7022 128250.1180 179208.7071 136823.5984 170.7506 173.8819 166.3395 190.6532 195.4875 194.4003 64824.8378 60731.0111 66664.5030 63542.7693 63581.4465 65979.0936 62589.0267 65081.4847 62755.2111 86703.7022 103615.1374 69273.4553 66091.5307 59486.9120 38348.1307 32309.9073 20067.6628 22297.1647 104276.0786 99803.9652 113480.0091 107337.7846 119384.5107 43384.0587 34104.6806 31857.5770 41274.4089 32247.8414 81976.0427 83337.6069 160291.6901 75836.3422 66326.3008 15515.4676 20216.5921 28934.1622 39321.6423 41854.6573 98693.0817 106438.6721 121749.1802 166437.6891 90644.1237 36546.9266 31759.6416 27913.6872 29725.0135 29697.5870 56318.7459 47444.2532 58336.1764 37096.5737 91115.8122 TG(54:7)>TG(18:2_18:2_18:3)_M+NH3_feature3 TG 18:2_18:2_18:3 1119270.6130 1385213.7580 1906647.0560 1376092.1470 1868358.4790 3379041.3690 4322820.3540 2152577.4190 5950086.3060 2957621.9210 298.5329 307.5536 298.6627 268.6241 266.5594 273.3730 2841300.8920 1763443.4310 2775204.6750 1736452.5910 2589257.4700 2586046.5910 2520156.8490 2327388.9900 2271123.3810 5919394.4790 5697414.2890 2433955.2460 2177120.9120 2346459.3120 4833895.0570 2127438.5160 1593073.3350 1415691.9260 4466731.5680 5298642.8530 5014154.2530 3957181.7740 1986190.1240 2536764.3150 1207493.6660 2267788.1700 1548117.2670 2246453.7650 3132207.1690 4060332.9600 1997516.5720 2882024.9050 2179456.8340 439989.7908 993310.8809 1338078.0390 1544463.5360 1943304.9160 3317611.9540 3411672.9670 5285054.8050 3827405.0160 3410881.0380 2022474.0020 1402072.3500 1059852.3170 942784.6011 1779177.7410 2171111.9570 902468.8205 1908780.2480 1570773.2020 2123296.7540 TG(54:8)_M+NH3_feature1 TG 54:8 385851.9880 446842.2920 1109259.6160 588621.4570 865889.3644 768464.7345 1345064.4330 1364314.5720 1589460.4800 1160861.3100 514.6639 532.5584 525.1730 637.5777 646.1198 668.9092 732637.2344 702450.8571 798089.1071 710808.3511 763869.0462 724177.7883 709198.6688 743311.5438 744165.7057 988620.0546 1463797.9960 441711.4129 552788.1255 995616.6273 914679.7253 732714.5320 413728.9061 332928.6113 1009534.7720 1044479.5290 1117393.0100 1076097.3960 1054118.3930 686576.2996 377397.4352 570241.7499 841669.1329 703631.8054 777962.4243 903455.3649 1636400.6580 715886.8498 478812.8859 143308.6464 473234.0383 398261.3012 461674.9644 770610.0404 861844.1397 1093420.5470 1398486.4570 1009344.2500 891917.8716 892070.6454 425477.6792 544740.5895 306255.4970 507097.6844 562238.0011 453178.8838 510223.3963 397830.3878 818360.6049 TG(54:8)_M+NH3_feature2 TG 54:8 535903.1001 584740.4516 970369.8768 741450.0840 998068.3209 1656694.0630 2043621.8080 2329330.2040 3396622.0440 2660027.2260 315.1226 334.9967 330.8365 390.8648 399.4187 409.1679 1628969.5560 1169420.4130 1208237.1370 1310581.9470 1217608.0410 1291763.8950 1385107.1730 1412936.6580 1371043.9870 1869024.5880 2172526.3380 1048861.4970 1273678.7610 1249713.8770 960270.5081 835337.7289 484020.0971 499487.8463 2210800.9470 2128901.2470 2218734.0480 2202429.1870 2277578.0190 868370.1586 631106.8401 709377.3893 994243.7730 716491.1532 1523119.0310 1721132.9410 3083724.0480 1469063.1360 1232061.2770 264435.2948 569686.0723 549775.7966 707577.7361 857321.0862 1928042.6470 2205808.2350 2368470.4160 3071248.7280 1830708.3090 1015370.0980 734003.5462 639316.1402 513939.0449 692753.9863 1044248.6240 886798.9799 1105846.0280 886395.1126 1668568.8500 TG(55:1)_M+NH3_feature2 TG 55:1 17880.1050 24723.1967 17654.4770 26251.3433 14330.7145 35766.8176 46758.3883 42030.9501 66376.3789 32838.9015 433.4540 419.7856 427.5964 409.3500 417.0436 403.5119 29316.3701 32351.3595 33352.0143 34849.5365 30754.9859 36406.6187 28782.7077 33009.0103 31021.1168 22335.9328 21721.3528 34401.4438 30083.7677 34217.8795 137828.1557 32198.0832 21488.3063 14926.8225 76920.9761 111935.1142 46512.1059 34791.1749 36019.9625 18918.3770 21785.4303 21563.2657 26701.0338 22250.3282 27619.5215 40939.2640 50318.1173 31344.2100 20753.7027 13655.9731 13985.7687 29803.1187 13237.2709 24931.2795 19651.0845 40271.2856 35580.0042 26192.0870 135949.0643 19625.2778 15136.5366 24490.2043 16209.9842 38421.9666 17337.8404 23509.0050 25135.4298 27054.5711 32407.5332 TG(55:2)>TG(18:1_18:1_19:0)_M+NH3_feature1 TG 18:1_18:1_19:0 1604.3508 2734.2434 3676.6318 2561.6434 3658.2256 8321.9712 22653.5898 22071.8740 29123.4332 14510.1018 144.3051 150.3861 147.3583 237.8698 246.9308 239.2727 11080.6028 8767.8444 9030.0101 9040.7211 8588.5880 9284.7875 8477.9709 8978.0479 11875.4808 13243.8254 16981.2124 7995.6818 7046.3674 3074.3777 54104.3060 4987.6555 1673.1865 1157.3023 30297.7059 38931.7313 16683.7968 19088.3255 18706.2516 3638.8948 1902.6386 2747.0773 7170.0563 2562.2708 9389.4979 24998.7248 30148.3425 14220.0964 13188.1695 1412.4523 1284.5458 3307.9241 915.7953 2097.3744 5206.8212 6520.7197 11722.1178 14383.5636 46799.4283 1391.3892 2165.8044 3289.4397 1663.9688 4833.5229 2764.5927 2928.9285 14842.5411 1896.8143 3840.9672 TG(55:2)>TG(18:1_18:1_19:0)_M+NH3_feature2 TG 18:1_18:1_19:0 65884.5270 103603.9784 78644.5112 134195.0967 75939.7177 99614.6176 338424.7012 285407.2166 454207.7168 297919.8886 358.0598 366.0868 381.8843 478.8748 486.7525 472.2901 146902.7072 119367.7201 119813.4747 130480.9416 150705.4651 133099.2244 138193.7111 133097.8325 123575.5596 144836.4301 184504.6076 80300.3232 126978.7565 114147.8600 1007094.9380 195769.5758 99551.7467 77435.8894 493372.3678 647119.7427 295525.2983 186554.7402 347559.0459 94805.2215 126928.9705 128633.3591 132274.6348 135021.5627 98234.1041 207004.8054 300421.6363 147740.4352 166618.2276 42448.8953 40326.8451 92066.3075 69003.8654 118257.7235 72743.4982 129202.8695 110317.4187 116282.2082 771862.2261 111339.0605 91614.1695 134772.9996 101708.8541 127210.5917 59884.6125 80870.4945 80569.6604 104726.7317 167679.6316 TG(55:3)>TG(18:1_18:1_19:1)_and_TG(18:1_18:2_19:0)_M+NH3_feature3 TG 55:3 139403.7382 192694.0403 198258.9210 222601.3093 305256.8867 458146.1045 955139.1858 840039.6919 980698.1698 879331.9740 483.7027 508.8381 494.2755 554.5271 558.8868 554.9643 469402.2032 512113.2033 525877.6283 444084.1632 510699.5235 503228.5673 552261.0416 469156.4936 469994.0100 672226.9614 717636.2771 361484.9913 421782.3039 339405.1161 2148942.2930 369330.9096 230611.9891 190168.5040 1454483.9270 1473394.8940 798838.7284 578231.9722 943001.5218 380929.7190 220597.3733 268052.3903 483971.3901 282456.2328 417493.1289 807005.7034 1359558.1340 695745.0251 532141.5931 92832.6204 120680.2228 286611.6830 150191.4222 252351.0024 423325.6360 431501.2322 467028.9333 499408.6345 1205579.8210 233509.6640 229325.1400 256897.5583 225839.8376 410047.1585 194866.5457 264161.6329 270522.0160 265540.1435 399117.7434 TG(55:4)>TG(18:1_18:2_19:1)_and_TG(18:2_18:2_19:0)_and_TG(18:1_18:1_19:2)_M+NH3_feature1 TG 55:4 63702.7286 64391.3384 90796.2776 165462.3542 193587.4810 426258.0338 870701.2357 780149.9000 1314873.9820 731990.5491 393.0768 381.2357 421.6835 449.8746 449.5651 445.5585 369246.7080 441457.9665 482073.9492 350279.7119 338096.0821 474729.5072 432752.6707 446417.9429 357033.2800 790689.0163 760683.7654 340597.1386 300563.7726 113249.2462 1441106.8640 196907.4897 103905.4636 84896.4314 1054199.3150 1196800.0510 750738.0602 728363.7542 792483.6229 212600.7286 97987.2737 164600.1908 297282.1793 119864.6806 452182.9980 1023742.2050 1410390.2730 584958.7610 536915.2226 39898.4288 47534.8981 122260.8742 67915.6165 84223.4499 295699.6028 307514.0103 455625.4974 643709.9815 985111.6461 86782.5844 83075.0542 95379.4268 90145.4744 238877.6208 99410.7644 162275.0748 307234.2045 216121.3161 358300.6564 TG(55:4)>TG(18:1_18:2_19:1)_and_TG(18:2_18:2_19:0)_and_TG(18:1_18:1_19:2)_M+NH3_feature2 TG 55:4 19661.7300 27166.6215 28675.4038 17394.2481 37424.5209 140961.8859 83606.1298 196745.7489 353646.3995 269212.5633 363.5133 351.5541 330.5034 303.0283 311.3136 297.9618 63707.8109 101314.3029 51966.3771 91821.6715 97424.4673 66838.7426 91026.2135 63514.6776 80065.5071 344391.0809 149364.0242 119046.1351 91443.2642 44785.4601 173328.1877 39100.6038 36095.6073 33006.0072 328822.2420 225655.5206 285171.4879 56719.3623 234371.3847 49789.6690 31452.2161 38250.1850 63017.9251 45851.5572 100225.7392 184168.8016 312813.8483 52214.2624 123640.2335 17686.9771 23397.4261 24776.3682 18807.4503 46210.9281 98574.8021 72018.3163 52810.7813 158997.6684 185839.9679 8622.3862 40354.5972 27108.0570 34904.9062 80098.6522 38112.8847 47639.5441 62652.8562 70785.5482 99595.1556 TG(55:5)>TG(18:2_18:2_19:1)_and_TG(18:1_18:2_19:2)_M+NH3_feature1 TG 55:5 18051.8526 36924.4693 45776.8665 15378.6158 48968.8321 91076.4156 56118.5952 48950.3491 63430.5303 43831.8521 646.3170 2196.3020 1783.3395 580.7479 1275.1898 1150.5711 57750.7781 70352.4181 73016.4163 40499.8745 71999.9144 63887.2277 81654.1215 47706.9499 64282.8060 53030.1757 45401.1798 44374.6665 33257.5906 18547.3308 82056.0107 43111.2891 41506.5938 27257.2789 44888.6280 101634.7015 68337.1964 57521.7677 32686.0827 72319.5298 25367.4909 29221.8040 47286.2786 74918.0400 55274.0909 70140.5369 105952.3449 61127.8600 27636.5995 30334.5878 19319.3746 26260.0550 24718.7333 42043.7521 50462.1103 37280.9308 47792.4359 60466.2389 37072.0076 23188.0467 55214.3784 15934.7632 35503.3129 32215.8865 64733.9203 14310.0108 38026.7684 28715.3958 21976.4757 TG(55:5)>TG(18:2_18:2_19:1)_and_TG(18:1_18:2_19:2)_M+NH3_feature2 TG 55:5 152591.7514 215872.7449 245694.2393 172189.3594 196031.8904 363626.8379 629605.4050 450029.0056 1117781.0830 418919.2734 666.7773 678.4731 681.5521 646.8586 671.6318 633.7151 307409.0551 357619.4211 262210.9957 309324.7349 281868.9396 285083.9066 247847.2081 342567.8455 336427.8652 420435.7829 445949.1081 268799.7389 288120.8812 450140.5559 986371.0058 223001.5108 231817.5282 225216.2971 430625.8773 1012517.9780 365296.4272 260349.1007 429966.5653 203480.8712 200094.1007 94066.3727 304016.7362 295728.8644 315379.0615 401385.3991 1179303.9690 267938.5432 333200.1682 88250.9008 112071.0510 206690.0144 205557.1878 186610.1951 348196.2838 294432.4978 259180.7053 387379.3632 395814.4422 263559.6962 226541.8639 226227.8006 160435.5113 168035.3968 241086.4736 171787.4649 243655.3954 265552.7576 281659.4042 TG(55:5)>TG(18:2_18:2_19:1)_and_TG(18:1_18:2_19:2)_M+NH3_feature3 TG 55:5 266290.5111 238669.8708 222009.7199 430965.6122 272928.5811 682530.4558 927750.3728 998848.1683 1097134.3710 974967.5221 525.8231 568.1156 535.1293 483.5391 456.5473 460.0691 478157.4023 366802.1581 485403.8891 451887.9330 447102.6590 445489.5523 464107.2088 434169.0713 436138.8587 837484.8763 772869.6796 493999.0734 724073.4829 293189.1398 70028.3272 383878.6306 488571.8033 202928.5622 912120.6091 980753.0200 1028013.8950 755825.0832 838441.4288 498122.5527 370047.6945 411458.2732 376777.8392 447177.8849 577471.7659 757389.7402 1195634.4370 567039.4869 552000.5857 171184.9450 75298.6908 180545.5441 107672.8503 337819.7648 555536.2061 446440.0415 694966.4031 705048.8002 582850.2440 307217.8056 362657.4490 159235.0614 249432.0410 289463.8387 322466.3068 311931.8168 439382.4833 451108.1287 751499.8445 TG(55:6)_M+NH3_feature1 TG 55:6 431706.3732 510956.8741 449877.0171 494312.2067 849509.5731 1415084.9580 1988067.9180 1805299.5350 2001167.0760 1774476.1650 991.3048 2755.1693 2241.1602 825.4030 1815.2156 1640.3622 1019795.5340 1393511.4320 933396.8550 1312247 1276030.1290 969830.8879 1304614.1310 935012.3430 1277289.7060 2176976.0090 2378146.2360 1285156.5120 1467429.1330 623725.7831 858462.4626 546072.1596 466944.9788 413928.1395 1159446.1020 2068408.8060 1577451.7840 1683169.2890 2683379.4220 843278.8839 672152.7011 851845.0685 955136.7537 660408.4646 1624804.2110 1495564.7540 2115682.1410 587650.2652 1208993.6050 288421.3043 541786.8641 674679.3315 531193.2954 566687.3802 1794631.0610 1030398.2380 1871052.7420 1662738.6640 1384400.4740 543492.2423 639680.0554 403295.7488 528942.8213 648880.6833 1004431.1030 614076.1603 1200521.3300 643615.4402 1344539.5950 TG(55:6)_M+NH3_feature2 TG 55:6 318913.9145 504244.5353 442025.1548 498953.4425 581779.5069 690839.4813 2000503.6270 1764387.6300 1994797.9690 560480.7729 546.0575 1059.9508 1114.1700 620.3991 1068.7718 873.7726 985012.7182 828687.3768 916292.4467 775071.9059 868915.9387 978172.7601 860154.1229 957402.5675 858995.9665 1326988.0260 1391984.7810 1245855.4900 1506252.8990 625681.1480 839754.6375 549062.4465 454730.6548 408843.5048 1148147.2360 1190222.3260 1534804.7220 1696329.6960 1837760.5860 830752.7954 682747.0261 848448.6332 683343.0883 650026.3201 569785.4350 1511968.5320 2037934.9850 835664.5207 363864.3467 225749.3051 449890.9157 416577.1861 379778.3278 555812.3283 915780.3343 1044159.6960 1844869.1940 1563561.3550 1115394.4000 412683.1685 636612.3339 408038.9902 531014.3759 635866.7139 684550.1708 614560.6101 1199572.9230 421030.9253 1363571.0980 TG(55:7)_M+NH3_feature2 TG 55:7 236560.5673 299624.9908 438293.3528 394704.2972 514768.0345 1216611.6250 1583560.2620 1726307.2750 2425753.9620 1833343.7620 840.0906 1577.6739 1284.2396 2889.2449 1461.4660 1795.4682 888131.7220 907255.5453 867890.9300 897165.8222 910701.8994 923003.9205 897475.4987 896764.2845 872054.6543 1730937.5050 1964152.8520 979536.2832 1025908.1010 523145.3102 606907.1131 343066.8751 306458.6325 307018.4623 1542728.9720 1443247.9440 1679671.9290 1411514.7690 1623036.0820 498343.9468 342802.5284 467313.2420 563562.6146 452367.0841 1002665.1160 1225425.3520 2292805.2910 1084981.2450 946175.2320 174535.4930 260962.5663 335791.9890 352731.0570 511733.0901 1490527.1720 1571801.4290 1479116.3360 1671150.5630 1150575.5930 404751.7672 377867.1676 286124.8902 261105.5794 387800.7084 621561.1398 514106.3848 674959.7049 633817.0143 938290.8317 TG(56:10)>TG(18:2_18:3_20:5)_M+NH3_feature1 TG 18:2_18:3_20:5 194518.5298 201459.8590 415358.7744 232398.7253 396643.1480 350333.7115 614953.5160 607981.6361 393343.5710 490840.8120 311.2779 308.9846 346.4696 368.0240 390.0172 403.5841 324404.7016 334227.6831 398987.5923 340793.8307 338975.0873 309633.6345 335534.9739 344082.4605 361215.7532 627460.5084 792447.4826 205798.1883 271920.2102 239301.8564 274706.5649 313222.4220 159951.8883 83585.0814 466195.1127 464367.7762 494994.6914 448066.7746 373314.6520 267512.6649 127638.5022 149228.0522 400311.0215 276287.8750 440610.8114 412669.5172 829266.8121 376408.5041 152668.1379 89004.1321 222071.4072 181764.7551 220750.5906 353139.5456 543959.0694 622515.3155 798644.3997 594211.7332 424197.2605 399755.6362 209135.3581 189091.8640 114442.6107 198813.4539 310955.5710 230510.6399 259404.5224 125016.5811 302394.7075 TG(56:1)_M+NH3_feature1 TG 56:1 52404.5735 106531.0353 57635.1669 89703.2212 56794.9680 66878.1583 84212.9576 96495.6031 131932.4972 71451.3517 216.2424 215.1350 214.0070 211.9211 205.1812 202.3961 73303.2069 77364.5090 83056.6258 85028.1997 91893.0997 78829.5195 76748.4308 71648.2639 82952.8730 72340.3596 34180.7197 45472.9303 63143.6910 107038.2127 608322.1173 102051.8029 63831.9287 51780.5579 140431.1283 3804.8124 90951.4837 84405.3595 80108.5112 59744.6070 61966.2745 63079.9126 66291.1712 71562.7112 48024.7232 37548.5137 79028.0892 78829.5239 45841.9062 30849.9972 37032.2781 127652.5585 38138.0368 87807.9637 42669.1378 78651.9285 55003.7153 28102.5648 167701.6282 89602.9415 34041.2914 83691.1533 56121.9618 115739.0101 54272.1152 46883.0880 61251.3437 60305.6169 68234.9309 TG(56:1)_M+NH3_feature2 TG 56:1 42048.7244 79958.7039 51593.3972 111809.5163 82712.2440 81803.6216 130855.5945 109298.1678 145291.9879 101038.5902 307.9158 315.8223 309.8236 288.2204 367.9571 292.2047 94260.5729 100685.3793 103718.8040 103970.5026 95803.6986 93954.6105 94944.0992 102353.5426 100793.1974 65222.5045 63971.0711 67720.2325 66692.6966 109361.4018 354455.6811 86454.4919 71547.8754 69568.7801 182370.4543 198830.6723 149890.3537 123008.9184 123953.8182 93488.4135 69331.0180 86265.3506 102251.8286 108972.3800 99170.1280 124039.2425 158425.0340 115722.9705 79821.1247 30835.1780 45059.8965 72344.9532 49276.1124 97575.1671 78126.4379 109853.3728 111049.7054 77982.5601 240507.0230 74571.4501 62371.1031 95035.8523 67260.9840 101863.0041 62607.4859 92801.9122 82101.1742 86390.9683 124662.0753 TG(56:2)_M+NH3_feature2 TG 56:2 458370.4924 745940.8242 614177.5679 695224.4105 692335.1835 767003.5787 1063200.5650 1179307.4460 903553.7633 359211.4410 290.2094 266.4192 279.4794 242.0631 247.4968 232.2982 600972.8217 811176.6377 868373.9890 876280.9324 754176.5668 718640.7622 874728.7000 775620.4234 680943.0116 601611.8151 794360.0703 593514.6429 654979.4368 679607.1545 2148770.1790 837090.5164 665995.1161 590340.5575 1145592.2710 1143313.5370 805753.7946 847139.2721 1040374.3410 823747.5703 539798.4152 614121.5906 764569.0841 734995.0042 566406.0226 781720.8141 1110763.0680 817960.8561 766035.9792 330257.6134 375230.9518 768175.4871 511589.3652 752031.6462 576681.8305 629997.5301 609904.4144 675398.8775 1317209.3820 611161.9669 582963.6951 591801.0002 624411.1289 823638.5591 443648.0112 402242.7547 501406.3065 595808.6904 636904.1390 TG(56:2)_M+NH3_feature3 TG 56:2 233631.8744 415320.9091 263703.6564 590796.7035 447561.7458 507566.6103 808346.1187 749972.2264 1182805.8920 751801.3554 325.2562 324.2423 332.6169 369.4780 413.4560 372.1901 592683.7400 610219.2515 639788.4505 647165.4293 596142.1611 640815.4085 622182.2194 618110.6601 594111.4160 437199.1101 501245.9536 362414.6836 433409.6453 590704.5277 2953136.7550 550869.9114 337448.8748 327027.4628 1192092.3990 1654362.4570 954226.2111 731746.7159 909842.5052 544595.6524 386603.6676 492728.6698 692993.4433 562340.2087 498390.4114 1103074.9400 1270665.7930 766200.0402 503563.4496 167291.3185 199924.8120 433338.2229 279740.1322 497217.1600 386588.6601 564466.9538 581370.1881 521248.2714 1770661.0820 374914.4356 377747.1660 470372.9986 363336.2026 744033.4704 300944.9907 463298.6458 402817.6569 383780.2600 585855.2391 TG(56:3)>TG(18:1_18:1_20:1)_and_TG(18:1_18:2_20:0)_and_TG(18:0_18:2_20:1)_and_TG(16:0_18:1_22:2)_M+NH3_feature3 TG 56:3 857811.9625 1394132.1890 1256316.6070 1784974.5900 1574038.0210 2405426.5830 3815969.0080 4248574.7140 4666966.0120 3534063.3110 679.6080 710.3894 809.2597 727.4891 746.1084 714.9908 2372644.2300 2330826.8910 2333549.3610 2308037.3880 2341340.9330 2388010.7470 2379076.5290 2347767.3140 2309690.9780 2723780.8690 3006928.8810 1691546.2490 1930618.5260 1898000.8670 8464584.1150 2040478.9100 1238167.7020 1128534.4800 4672864.5150 6205929.7600 4169205.3370 3353835.4740 4514933.5540 1727244.8460 1213821.1210 1660272.1510 2407513.3860 1544090.8530 2076444.0960 5693450.6530 6683900.3650 2848481.9860 2492653.6110 605590.8821 706302.6948 1491449.2690 1060586.8910 1547299.6100 1664016.5280 1807055.3890 2306990.2280 2302631.3090 5350586.5560 1263140.4860 1375670.3700 1488116.8460 1315265.6860 2150594.9220 1195980.5850 1447548.3620 1440276.2990 1453798.6500 2264859.2650 TG(56:4)>TG(18:0_18:0_20:4)_M+NH3_feature3 TG 18:0_18:0_20:4 199695.8734 206883.7706 253409.3606 242701.4368 380836.1247 349792.0970 697012.8549 528184.2790 776771.4036 633665.2846 232.8901 239.2442 235.9513 253.7855 262.0834 245.7607 398022.8138 307138.3934 356576.4559 358022.2043 326329.8752 369856.2028 376982.6322 372981.8108 329436.4530 534070.0472 497141.6325 201244.6804 197213.7297 371824.6017 813486.7548 308778.6998 277907.1951 211407.2758 704754.5390 636672.7323 827174.1250 431873.7217 811440.6703 412901.0319 220719.1126 336712.9207 513351.7483 401555.8093 352149.8925 583846.9690 1171062.2870 342015.1755 363280.6325 106597.6566 160094.5123 213489.1137 152826.2608 230963.4780 229141.1990 217431.7405 380960.9670 359128.4979 437095.4782 179482.5739 229463.1554 123159.3838 163435.9952 222650.8077 198694.4914 163586.2403 194003.3270 177543.0572 248618.0110 TG(56:4)>TG(18:0_18:0_20:4)_M+NH3_feature6 TG 18:0_18:0_20:4 138373.4996 247793.1411 211331.2550 285600.6130 383562.1245 280197.1882 423032.0604 347896.2014 453243.2593 303494.7843 303.1840 285.7142 294.5806 342.4095 396.0396 339.7481 276394.7483 309084.2294 261981.1467 255235.8224 265216.0724 289352.2516 298859.1071 273842.6930 276431.0634 331536.3759 316670.2843 152365.6616 209015.5783 386760.2039 543239.9058 396091.4390 284209.3568 199736.4337 385786.3357 413394.9401 423097.5631 381778.0130 418312.6807 338148.0583 226854.5501 323065.2478 430233.3404 330860.6956 369437.2039 389959.7693 620027.9993 287703.6081 237154.6444 95565.6888 173715.3903 198522.6594 179026.9497 242640.5617 153785.2305 275486.3736 302880.6845 266407.2803 311443.1741 172248.8974 201255.5516 165400.1979 152663.3647 237138.7316 195180.4068 226954.9062 228131.2367 205397.7732 394566.1611 TG(56:4)>TG(18:1_18:2_20:1)_and_TG(18:1_18:1_20:2)_M+NH3_feature1 TG 56:4 165076.4063 203656.8712 213691.0420 141629.1284 221272.9619 144233.0186 148007.8811 161383.0837 113356.7416 155871.7689 389.1778 391.5021 387.7032 236.9163 244.9303 230.1156 107066.5097 145553.1310 156451.7393 174074.9141 152952.4115 134162.8470 144708.2494 144130.9679 136093.9488 125155.2495 125392.6217 90021.2897 81667.3872 256118.9303 168406.2504 230157.4151 169691.4484 181071.6137 145212.0029 134083.5486 164037.8955 144967.3591 194984.8209 211838.5891 204727.2413 219779.3948 7570.3319 228214.2567 148969.9324 117079.0513 126663.1771 134808.1523 149007.2179 122473.2340 172508.7353 147547.7202 149541.9797 168528.9167 115222.1681 89128.2339 114610.3477 133683.9338 116668.8548 179794.1428 188833.1881 128504.6346 121891.4650 146745.2448 130359.7895 115724.9817 130456.2363 124729.4606 117290.3582 TG(56:4)>TG(18:1_18:2_20:1)_and_TG(18:1_18:1_20:2)_M+NH3_feature2 TG 56:4 459711.6874 513781.4331 497417.0293 386876.8704 433678.0374 778130.7453 659413.3292 812044.8030 678271.0155 490975.9790 335.1254 359.3792 366.1184 209.2561 253.5064 225.3743 479037.2801 619038.9770 675614.2456 622694.9199 636275.0716 569002.7349 603719.1260 581408.2269 589910.5902 632009.6269 860354.8092 548868.5355 574591.1393 401948.6238 1019101.6510 585224.4382 374405.5724 483225.8128 909886.5028 978605.4649 574233.6325 647929.9886 518887.7007 436837.9563 439312.7067 471470.0512 536057.6547 429321.4082 694538.2398 829091.6029 661532.3446 818148.3635 692995.4254 470429.6074 346263.9247 566809.0504 450211.7189 462789.2958 706684.4295 576475.5378 729611.8138 588495.7837 774802.6239 368919.7798 413191.0529 377506.7731 397032.8418 518835.0696 569906.2603 407718.4567 562181.6945 478726.9380 334706.8088 TG(56:4)>TG(18:1_18:2_20:1)_and_TG(18:1_18:1_20:2)_M+NH3_feature4 TG 56:4 1110338.8240 1437127.2080 1521703.4900 1685360.9970 1586951.0340 4087723.4370 5205002.3260 5328350.5410 5865916.6280 4583460.9290 450.2070 436.9974 412.3403 510.9006 469.8113 485.9092 2903746.1340 3856434.4490 3047348.3650 3025544.6960 3231961.0360 3174373.0060 3239892.6460 3144643.1460 3352918.1700 5094126.6900 4925902.1480 2837463.4950 3961372.1950 1826165.5010 5638199.6720 2471832.4720 1222114.0150 1493311.8290 5426418.3600 6585339.0360 4026525.5240 4749776.9300 4325480.4050 1855989.3610 1319298.1810 1921590.4610 2696760.8960 1604876.1990 3919930.5490 6289494.3480 6501543.5480 4091159.7780 4663080.7420 884262.4356 849534.1108 1857647.4500 1433173.1630 1557685.6510 3095469.4210 2898126.1340 4837031.3790 3631312.2300 5452108.9050 1364554.8550 1668076.9080 1279417.5070 1461191.9490 2375455.2940 1982547.9320 1733251.9630 2033061.9280 1993132.4610 2215105.1080 TG(56:4)>TG(18:1_18:2_20:1)_and_TG(18:1_18:1_20:2)_M+NH3_feature5 TG 56:4 172676.4562 191274.8781 170304.5148 384996.2461 390746.3211 374648.2281 324528.5889 355773.8487 338590.9409 369389.5915 284.5602 294.7900 276.8337 169.0073 177.8034 170.6273 265212.7723 378170.9085 400108.7664 415800.4871 365814.5253 389912.0069 318682.2338 329088.4948 376443.1287 376257.4547 398437.8028 181895.0482 395676.4345 387546.4812 349803.1156 228043.1701 147637.9548 190064.9033 432642.1366 434647.5704 285679.0900 340327.9032 181875.5771 370758.6574 188012.5810 169485.4399 334537.6798 372912.8267 322191.2550 376653.4547 119916.6229 431596.6371 343167.5821 162545.3260 155162.9517 271222.0695 177073.8442 406703.8911 201035.1113 426088.3434 394666.2262 273646.9351 536286.0670 181803.1815 363816.3246 157516.9271 191884.1826 218365.3447 182496.7305 185355.2102 358368.2926 426532.1946 445219.5888 TG(56:5)>TG(16:0_18:1_22:4)_M+NH3_feature1 TG 16:0_18:1_22:4 222384.2813 253062.0418 241313.2465 184900.2155 269518.0400 193949.0299 106243.8116 170545.6252 190947.5459 212917.2654 502.8261 509.2904 487.3416 332.0366 323.2722 323.9361 135175.7018 183584.4107 208827.9922 210185.0198 224651.2919 193803.1780 206290.1789 162525.4787 172944.9801 194806.1783 199615.1488 133458.5608 164707.1489 308300.6972 212089.5355 264112.0076 274206.2315 236131.2919 177401.8527 114768.4499 210543.2714 196911.8059 228649.4468 229164.0355 259354.0772 300968.9451 299434.2663 321178.3344 218837.4867 150098.3628 129354.0291 176606.2953 205194.4408 157814.8967 220317.1580 188170.7382 216327.3053 238120.4637 167631.3151 139071.2381 183450.7665 10199.9078 161551.4704 223687.8186 263871.2847 152374.0896 161651.3773 206172.2521 218193.2592 180412.8108 146453.5716 127045.3452 160920.9642 TG(56:5)>TG(16:0_18:1_22:4)_M+NH3_feature2 TG 16:0_18:1_22:4 283187.8137 340539.7134 318442.7450 275953.6212 409028.4861 688385.1191 676484.1943 691920.0879 742346.5870 579745.2684 631.2197 2043.9088 1724.7304 435.1022 952.8785 844.2736 459722.5929 554868.1681 612122.8450 683988.3990 640539.2131 591202.3538 604300.8083 493142.0158 568576.4177 573024.0527 604561.6990 469699.0736 601867.0602 330696.8395 913965.4424 451779.5827 279403.7253 321045.7504 790809.2176 988119.9742 627358.2162 720494.5221 524136.4165 407767.5779 319102.0286 465591.1830 467808.8644 372617.2021 726403.8209 818178.3389 652319.3450 803477.1658 776520.8888 312959.2607 250517.4768 433706.7661 330372.6899 302604.5799 639557.4237 545984.0596 816565.3210 581272.0371 877620.3864 353859.8448 440510.6695 142459.6302 343858.3290 372642.4028 584734.4466 421977.2406 549683.4893 472803.5531 245130.9687 TG(56:5)>TG(16:0_18:1_22:4)_M+NH3_feature4 TG 16:0_18:1_22:4 3783532.2950 3461289.0660 3181281.6570 6517456.3070 6859448.2000 14727360.3200 23366622.1400 24541694.9200 32766194.9900 26256552.6100 2007.3342 1986.1768 1963.8199 1989.8736 2095.5235 2024.7972 12845404.9400 12295075.9500 11644741.3600 11728907.3800 12342602.2300 12341988.9100 13035347.9500 12147219.3900 12013403.3100 14698754.6400 14817474.2500 8547477.4550 8026798.2590 7990139.4830 13873522.4300 4035080.7130 5326680.6570 6153674.4910 24332643.9100 20666519.8900 27648633.9100 22183790.7700 27034473.2800 8220764.1830 6442610.2760 9939056.9090 12614237.3900 7492125.1230 14448783.2400 21836460.8300 47305691.1100 13959735.0800 15982966.1200 2869483.5720 3497098.3510 5721306.1020 4060390.7490 5552226.2740 11458380.3300 8310236.5600 12345157.2700 17946203.5000 16602186.8600 3525038.1370 6402733.8470 3672157.6720 5553309.8760 6560312.9640 6397232.7820 5266962.9240 10416260.3800 8910012.3750 10428678.8400 TG(56:5)>TG(16:0_18:1_22:4)_M+NH3_feature5 TG 16:0_18:1_22:4 2076506.8280 2169397.0010 2538981.0700 2640110.4010 3602405.9500 3518389.6720 6576078.4960 5517579.5050 7648129.9640 5676794.2540 424.3335 439.6129 429.1094 447.1730 458.3487 441.3807 3497596.6530 3524366.2650 3710317.1460 3572396.0280 3947847.4220 3791453.0740 3484535.9230 3324067.1090 3707726.4830 5159508.5700 5155053.7580 2346360.7070 2354291.4410 3760015.9940 7415280.6600 3057962.0600 2668839.4190 2475219.1960 6607079.9360 6423960.5440 3453200.8730 4484245.7290 4638877.5980 4024169.8100 2385432.8110 3498260.8810 4828337.5640 3860956.6500 3883143.0850 5540784.1070 5876934.3790 3527528.7730 4014742.1520 1321064.9110 1717068.7330 2345349.0480 1678552.7020 2458717.2050 2644381.6630 2634799.5050 4250953.7260 4208693.7270 4414431.9190 1881570.3080 2401946.4080 1377193.2520 1536544.1940 2459543.1260 2219691.9630 1933187.2490 2640654.5780 2245190.2740 3129261.4370 TG(56:6)>TG(18:1_18:1_20:4)_and_TG(16:0_18:1_22:5)_and_TG(18:1_18:2_20:3)_M+NH3_feature1 TG 56:6 210311.7192 363730.3525 366891.4297 344514.0636 448962.7904 817324.7499 815965.0567 779010.9480 916972.3299 471787.0042 399.2169 383.5524 412.3225 256.0337 256.5177 257.4404 532929.9988 575075.0387 499319.1812 618983.2697 598857.4968 648795.2188 641391.3553 489979.0984 536078.9583 802514.3914 726283.7529 570012.7278 570765.8293 377349.5866 818280.4503 545961.8336 358265.1777 383945.1198 840484.8238 1178307.2540 741506.0374 671249.1213 529603.7549 464423.8274 300197.1912 543304.4603 654867.5546 442376.6594 748055.3413 939832.5224 893186.7697 787817.2702 644916.5456 242406.8989 250409.2594 438974.8140 331700.6821 343934.4709 719658.3098 643908.1959 901531.9978 643915.2596 845564.6804 350440.2017 351511.4518 166225.7058 295805.8167 306321.4669 578181.8274 445361.3015 354107.3258 494810.7362 446859.3564 TG(56:6)>TG(18:1_18:1_20:4)_and_TG(16:0_18:1_22:5)_and_TG(18:1_18:2_20:3)_M+NH3_feature2 TG 56:6 20175.6555 264426.8292 2082663.6060 1723464.2800 2740739.9110 5875960.6070 9141032.1960 376405.3524 10924679.8500 8033611.7980 181.3210 179.3215 182.5553 228.1492 245.6485 234.6846 4352578.3800 4972592.8220 3965126.9790 5179892.7590 4296090.4560 4141822.1880 4387110.0250 4429252.8960 4892138.7970 5706058.4070 251648.4147 25787.6179 3844893.1360 762788.7629 205084.2368 1841506.0760 1492690.2370 1736618.2830 7899548.7670 9146250.8790 7439508.5290 244868.9979 491387.5787 3019214.0560 190819.2044 24863.6543 3895325.0640 20435.4762 7720248.9530 9265889.9370 563305.5655 6572723.3220 6016946.1440 882622.7757 5954.8214 1242643.7720 1465706.3790 2126274.7070 140095.6086 91222.3019 7695841.7250 8094850.3770 6506123.9430 20722.6824 13067.5959 931811.2585 1008176.4870 1504284.8120 3964690.1130 2499541.0510 4215457.7710 3075594.8420 4216947.4450 TG(56:6)>TG(18:1_18:1_20:4)_and_TG(16:0_18:1_22:5)_and_TG(18:1_18:2_20:3)_M+NH3_feature3 TG 56:6 12790390.6500 13179844.7100 16004839.1800 17436843.7300 23869973.1200 57051387.7100 72128397.4100 79931441.6300 103708884.5000 75580900.0600 428.2234 436.0174 440.6434 525.4277 460.0450 434.5395 41117150.2700 44632336.1800 45068351.8000 44520200.2600 47835941.4500 42860667.6500 41962313.3900 43594932.8500 44131838.3500 55365094.2900 1275726.4610 30321188.7500 31099804.8200 25262600.2600 42601555 16522616.9600 16368198.6400 18792972.4600 72581045.3300 71744256.7700 88225326.9200 71700841.7900 80237417.7600 27035974.5200 19674306.9500 30020035.5000 35028294.4700 21458994.4300 57667286.3400 73231106.1600 135934178.6000 51753641.6000 52321558.0100 8695093.6090 11389173.2200 16539423.7500 15377648.8100 19784740.6300 45677732.8900 1045783.6900 57764878.4300 65304585 49333630.1800 13591653.6500 19857118.0400 11019453.7100 15384869.1000 17984917.4300 26785807.5600 21561999.0900 31624858.2700 30218501.2400 36533845.3000 TG(56:7)>TG(16:0_18:1_22:6)_M+NH3_feature6 TG 16:0_18:1_22:6 8550525.0610 8631306.3650 8087961.1080 11643643.3200 12823679.0200 17844928.7600 22981220.0900 23777447.7000 40414033.7300 24865394.7800 417.2109 1325.4629 1298.0195 608.1134 1184.1327 1255.1281 16766795.9600 15881368.9500 18951870.0700 17097831.5500 17979112.0800 16405251.2400 18005653.2800 13311094.3200 19386509.0900 14116408.8000 22571737.0900 10495711.8000 13479675.7900 14807280.2000 11547392.9700 5826370.2990 7569914.5840 9823882 22722846.5900 25157655.7300 17862557.8600 24144640.0200 28354568.5600 8693742.1710 7859623.3020 14346051.7600 18226710.2000 12042799.0900 21737739.7500 24043243.1000 25524782.1400 18881338.5000 18308648.2400 6186363.7700 8802327.9610 9430267.8640 10854782.2900 12043384.3100 20932490.6300 20546261.8800 24440161.1000 31785370.5400 19958540.9800 10942502.4600 14077755.4500 7781636.1350 10588257.1400 10583919.4900 14104165.5100 10867010.6900 12254277.3600 8311822.9690 16185670.6600 TG(56:7)_M+NH3_feature2 TG 56:7 313455.9340 198177.2487 590812.0915 223326.1747 859790.0652 1428259.2550 2908959.5760 3316900.3340 4251068.7980 1851701.1410 340.6974 272.6450 278.1103 272.7218 294.8038 293.3326 1442624.3260 1386821.3460 1349207.1490 1217004.3770 931527.6128 960484.1271 1255973.8280 1350174.3830 1629228.0190 1421047.8970 1722210.2320 896020.8728 1147794.4740 659583.8458 1225820.0740 720212.2242 397490.1625 399465.5875 2839101.6750 3464836.7490 2071141.8630 2788302.8060 1540672.5810 851156.6564 302088.1838 915247.5827 1079353.6420 575145.8703 2395755.4270 2667415.4280 70136.7097 1992173.6590 1597307.1950 199863.8866 185951.0226 254704.3496 228322.4542 393266.6434 1941181.6290 256922.0223 2883990.2310 2657731.3130 1677877.9870 913729.4638 386729.1577 111034.4653 178702.2053 330161.3771 985889.3626 285628.6307 122564.3975 474279.0982 985881.4511 TG(56:7)_M+NH3_feature3 TG 56:7 928650.0364 1107184.0430 1554329.0960 987720.0709 1537721.2180 1611847.5460 2064008.6840 2522840.7260 1691951.9210 2236763.8260 579.1297 598.1661 619.4608 546.8293 567.6563 530.9700 1380778.0320 1378506.4190 1332512.4940 1321889.7400 1486963.9620 1410656.4910 1411836.3690 1224541.6180 1433552.1260 1713368.3330 1701944.0060 801642.4575 988109.2121 2318052.6230 1307224.1380 1503205.4270 1241691.4280 1064285.6870 2568982.5250 2506058.4910 2886204.2520 2098728.0430 2434543.6150 1514252.1290 1070330.4360 1557001.5720 1563909.4680 1179324.4340 2402914.2450 2123512.4750 4600050.5210 1602493.3650 1433189.1370 518531.7950 935804.0363 818676.8170 911469.7648 1162450.5890 1054319.9580 1243343.6770 3006912.8240 2215118.1920 1485179.5870 1308338.3780 1303444.7000 778994.2469 553347.1598 820758.7941 807945.2737 1036015.6610 1035860.8430 844635.7260 1169765.1400 TG(56:7)_M+NH3_feature5 TG 56:7 13812057.1500 11140521.9300 17710534.0600 16112552.3900 24210054.5300 37565622.8100 65147966.6900 60383191.9200 77487354.4000 60529993.2200 317.5350 340.7011 335.4762 401.1302 386.0946 414.2122 29932116.8200 32970561.4300 33839627.4500 35620282.9300 35262424.8000 37693112.8100 18217985.8600 38109297.8200 33892901.0400 44441896.7900 54130913.4700 21505065.3000 31438403.7000 22421362.9100 30353447.4500 17479774.4000 13534153.9700 14547151.0700 60872537.8000 64869134.7600 59099125.2300 60321173.5200 52315020.5300 21735739.0500 13741216.2400 23674690.6500 31945193.4700 18872717.2800 53939616.1200 64940581.3700 82333412.4100 45493854.4800 41713865.4100 8054986.7650 11457853.7400 13345251.7300 13000068.0800 17296843.8600 47470983.4600 40587778.6500 56523742.5500 59363074.9000 47881138.3700 13426827.4300 19373980.4700 9763019.7850 10969769.6000 13349020.0600 28095599.3100 21532229.6200 31106536.8800 21750028.9200 31907977.5300 TG(56:8)>TG(16:0_18:2_22:6)_M+NH3_feature5 TG 16:0_18:2_22:6 10209659.4900 13234888.6400 14214542.7600 13277006.8800 19983092.1200 39987842.4400 46414368 47275526.9000 64785143.8000 44170993.6600 539.0080 531.9365 545.3678 564.7369 531.7292 529.9281 31345264.0700 28542398.7000 29175002.8700 31261356.2400 30038167.6300 29720664.2000 29728435.3200 29685188.0500 30513628.1500 40585511.4900 38115578.4100 20974849.4900 22807376.4100 23119279.4200 22251717.9700 14025197.2900 13538562.4500 14238708.5400 47966543.4800 48232028.8600 56976189.1000 41921396.0500 50764548.6500 20504060.2300 13920607.9900 22844775.3400 22878984.3300 22570122.2300 43026193.3400 50355687.3800 73230851.4800 34896626.6200 34603661.2200 8007856.7840 12367988.4000 14343453.8500 16442014.3300 20538966.1400 39563255.6400 35211114.6600 65664193.9600 55322686.4000 34075071.7200 15186008.1000 18791909.1000 9171335.5470 8809401.4150 14502754.7000 24893607.4600 17581877.5400 19430548.4500 18745863.7500 22891251.2100 TG(56:8)>TG(18:2_18:2_20:4)_M+NH3_feature1 TG 18:2_18:2_20:4 25265.5292 31402.0918 58939.6692 28638.3970 44363.4448 38761.0822 41764.9829 61151.7137 45797.1196 52294.5855 274.1655 280.4411 272.0633 175.9591 178.7489 183.6260 26515.3035 34938.1623 36470.7576 34297.6372 29309.8500 31389.4683 30130.3297 26442.5455 37734.8479 68045.5126 47932.4054 28404.4419 23054.8522 37061.0868 63893.9449 44239.6760 24539.8891 17904.9662 38416.5320 42364.8942 55033.3410 41800.2856 45364.5249 37315.8633 22445.2501 26959.7051 40760.4492 33064.5771 23540.6725 26924.4713 44869.4341 30046.0491 20660.9675 12768.0368 22855.9891 25167.7818 31095.7634 31526.1513 35626.1106 39243.7260 46939.8370 30891.9344 56795.8091 45882.9183 29718.6696 32463.5556 26198.0217 31253.1509 21611.3033 26855.7644 23087.8084 26586.5978 41810.3984 TG(56:8)>TG(18:2_18:2_20:4)_M+NH3_feature4 TG 18:2_18:2_20:4 4760349.4140 4811573.2790 8234842.3260 5056000.5540 9873069.2470 20554736.0200 23757524.7600 30646108.5500 36419767.7100 24713651.7300 1516.6011 1506.2081 1593.6395 1533.9811 1620.5802 1613.4301 13176304.2000 14089554.5100 14056428.1100 14266544.8000 13406368.9800 12952916.4200 13504522.4300 13692671.0400 14197399.8300 20060513.2200 21395622.8500 10108433.9800 10795200.3900 9280787.6050 12632828.5300 9513447.3740 5072936.5450 5836947.4940 18320330.1300 30562561.1500 26722954.9300 25534958.2800 19648615.0300 10096611.7400 5282671.8390 7648969.5160 14184999.1100 8401496.0480 25229014.8100 27042627.9700 43201308.2300 18679003.3400 15623832.8600 3492662.3410 4378210.8260 4726531.6900 5243066.9870 6409177.5760 21309944.3900 13829181.2200 27799389.7400 24957987.8400 16956292.5100 6200275.3030 8069119.5120 3370034.7020 3525924.8940 5125724.1620 11493697.8200 7933423.3390 12069723.1400 9052115.1700 9058603.2870 TG(57:4)_M+NH3_feature2 TG 57:4 15596.2289 23526.0210 19733.9862 32818.2083 55921.9003 58623.5481 122253.6943 105320.1412 123837.9704 93385.4325 850.8837 826.3133 824.2662 839.5065 859.7954 829.4072 73411.3426 40881.9032 43269.4102 62576.3134 42620.5582 51302.4840 48547.3524 62916.4730 56295.4101 75318.0018 74765.4038 39015.3612 39872.5859 41291.0590 98673.9615 36606.4487 32671.4240 27245.2888 99294.3724 120154.4219 140917.5774 93669.4968 139900.2792 34749.2044 21105.4461 44080.3776 56446.8131 36618.9419 49175.6768 131401.9088 146114.6626 68333.7004 42485.2096 16739.8740 15003.1822 25602.6031 21279.4351 32119.0214 45524.4931 48000.0517 81432.4103 82858.6221 117276.8219 33694.7460 30301.8818 28623.7024 25013.7765 40284.0739 28105.6001 37395.6906 41979.9062 37666.7272 54599.6088 TG(58:10)_M+NH3_feature1 TG 58:10 112887.9425 99264.8017 202685.1607 123468.0355 197693.8997 304466.2580 471339.3467 577802.7168 581772.2447 405102.4770 500.8647 487.9504 512.9894 533.8048 528.3056 559.4567 259022.8895 262891.9535 262899.1428 258099.9663 260873.4468 262176.8248 254349.0802 264164.6416 261968.0640 401273.4731 462524.3443 207932.9721 241603.1505 209436.3842 127322.0992 138037.8161 89502.8290 90431.5209 488234.0096 459153.8140 443486.1367 451554.6830 317857.6642 134334.6829 95336.8406 125600.7446 187926.8072 152902.3068 577553.4444 455207.0022 764037.1299 392367.0711 210840.4292 77867.2487 131596.0633 111221.6990 165151.3588 198690.1307 564270.9184 522283.5037 963638.7006 608870.8868 389759.9736 204484.8341 136632.5906 119913.5350 70504.4003 108132.6096 269023.7096 175331.1001 215923.3292 130503.1839 198410.0099 TG(58:10)_M+NH3_feature2 TG 58:10 2526955.3570 2155426.5840 3821946.4170 2043423.2790 4616513.9630 7754581.7130 10832101.3200 12373811.7600 14941629.6500 10317350.1900 312.2903 322.3040 320.5808 317.0695 317.7551 326.4040 6356332.3120 6139060.5540 6290755.2990 6412267.0530 6096650.9630 6093739.0040 6284533.2530 6319417.6710 6307067.6930 8607490.2860 9117505.3890 4306887.4400 4588695.1290 4639397.8480 3855229.2330 3484813.0870 2931869.8280 2894443.6330 13259617.4400 14316371.0700 12179515.7000 11874577.7300 9039539.5390 4274442.1260 2790774.7140 5218491.8320 6663134.4570 4490482.1630 13905630.9500 13943120.9100 21192260.4000 10101468.3200 7069027.7410 1904786.2760 2407408.0910 2146601.1930 3097681.1310 3406469.2510 9720416.1580 6496675.6250 18083307.5000 11873654.5200 7356368.4600 2850032.1230 3603223.1600 1690873.4200 1383648.8350 2287703.2350 5284274.0630 3237884.6590 4842569.5720 2991175.0300 3364862.5270 TG(58:10)_M+NH3_feature3 TG 58:10 587804.1320 620640.4568 911897.6426 626922.8966 1163248.6940 1318455.7310 1881601.7420 2196052.3050 1501277.0580 1990544.4930 275.5063 281.9002 292.6343 282.3432 296.1157 296.9804 1163487.1440 1205956.4180 1216006.8540 1249961.6010 1201514.5380 1201612.1070 1179626.7230 1193465.1930 1206025.8330 1428221.7090 1566045.8580 579151.0718 595627.3259 1534327.6680 1170689.5320 1078469.8640 740274.3318 738124.2113 2362442.5340 2393257.2790 2513018.4140 1944598.5880 2187823.4780 1171877.2950 737848.9856 1319272.3450 1408679.2870 1096718.5890 2245528.4110 2039442.6300 4144105.4800 1461417.6230 1260574.1420 329711.1171 541963.1644 480775.4672 535798.8712 695776.9427 818815.7222 957653.6829 2694484.8580 2063091.1060 1339495.9810 680009.7174 853212.4722 337050.4403 265418.4813 437348.6828 744871.0843 598513.8278 749834.7454 524495.0392 736643.5110 TG(58:11)_M+NH3_feature1 TG 58:11 699205.4668 701659.5186 1498433.0310 701227.5254 1392965.3470 1334153.9960 2353575.0390 2504396.3300 2567129.7770 1902684.6640 279.7680 289.3355 835.2506 326.2767 335.5752 337.7772 1346294.3420 1311874.6870 1276775.8340 1379182.3540 1270840.9510 1367869.1870 1326667.6060 1378691.6920 1266755.7620 1863142.4170 2091340.9680 821645.3784 923241.3755 1542649.2580 865609.3543 955735.1455 696916.4951 614856.6234 2169301.2050 2079554.2460 2134707.0680 2177553.4090 1624494.1300 967801.2551 647146.6712 906613.4511 1487064.1330 1151266.2540 2395271.4170 2065457.0120 4186068.6960 1743617.2670 937892.4105 424240.3131 876787.9166 648019.0759 945181.2190 1226412.5300 1853098.1340 1789154.0630 3385617.4430 2239091.1530 1512899.9450 1237037.7960 794826.3333 759888.6886 400756.1224 697323.5400 1265124.6070 829473.7261 1092710.8360 622115.7877 890349.4289 TG(58:11)_M+NH3_feature2 TG 58:11 106530.7577 87132.8722 169424.8598 114411.7775 201103.4467 213267.9928 260098.2093 289659.6176 343867.3493 174956.4679 279.8268 296.9569 292.7569 302.9038 308.9214 315.8350 165867.4727 175451.4839 143598.4208 176279.7349 155525.9515 163157.7321 165793.6163 170702.0537 161761.2593 163093.2715 151057.1925 95485.8635 105234.1905 224516.8725 140239.6460 151430.7867 75973.5862 88468.6643 301710.4919 287146.5376 223222.7784 189954.5837 264451.1831 119560.6249 52137.6905 123298.6439 118720.2550 86265.9145 246963.0147 208381.1734 420918.9390 191055.9374 141034.8430 43126.7115 103738.3467 79449.8205 63908.9543 126428.1588 263614.1966 221079.2853 379847.9173 171322.3976 200419.1838 104517.7939 154007.1617 58810.7587 36259.2945 88648.7866 135193.0012 116494.8155 118230.7808 96661.9333 133533.1149 TG(58:1)>TG(16:0_18:1_24:0)_and_TG(16:0_16:0_26:1)_and_TG(18:0_18:1_22:0)_M+NH3_feature1 TG 58:1 23490.3990 35714.0802 33657.7450 65819.9334 50511.1833 48073.2640 78492.5488 67776.4904 80636.2904 77130.0520 373.0518 350.6548 369.7803 346.6871 438.9566 348.0765 60175.9521 62391.2720 64027.7831 62164.6520 58169.3330 64295.5078 59687.8277 62005.8827 62347.8014 31035.5429 33122.3997 36155.7448 36779.5065 65024.0384 129359.7726 46097.5298 47552.3492 44623.0341 87604.2258 91427.8499 97206.5757 75954.0742 83274.5673 61197.1925 41040.6171 51869.7228 63561.0514 60320.4363 65589.2015 75651.0312 102653.4142 60756.6853 48435.8305 19032.4525 26600.7072 43816.5751 28946.8427 58105.8775 52421.2334 65870.9254 73500.9808 57306.6034 118293.7764 42359.0187 34446.4076 61538.7365 41657.3988 62491.8078 39486.1956 60102.2260 61006.0699 55577.2940 80705.6044 TG(58:2)_M+NH3_feature3 TG 58:2 62614.0226 119369.3355 84779.1297 189556.7691 102777.2047 131974.3735 180463.6299 185392.6167 222305.3416 190299.8416 370.2447 380.3691 379.4660 406.1275 430.2211 426.9747 151633.5963 160151.5592 174358.5135 165885.8890 163706.0423 174455.8227 167264.1894 171199.6629 142967.8225 96813.5908 81066.6760 104783.4717 130938.3076 179241.2760 504616.6420 136422.6839 115020.1689 122118.9155 303242.1626 358008.4671 223005.8382 219446.6373 232087.1659 145604.6793 112777.4620 141110.6850 183076.3699 170208.6984 159154.7991 151902.4366 196539.3800 186344.0315 121890.1006 42289.1992 52139.8073 112243.4617 84240.4478 143925.2853 144661.7308 179967.8237 129133.2825 144687.9727 390723.0857 128701.5097 98924.8659 156013.4383 109915.5992 146454.8403 106361.5688 146432.1139 137151.5899 125620.3710 137906.4990 TG(58:3)_M+NH3_feature4 TG 58:3 109344.2224 228636.1777 95719.2562 284322.4431 188209.3841 261722.0209 390459.7963 387621.1776 538797.2577 349126.0327 762.3490 759.2961 778.2128 805.4756 821.8835 1240.5208 272973.1743 252791.5176 311592.9632 282134.5901 270934.0368 251419.7551 294811.7955 279039.5524 268697.1654 250491.0403 169362.1522 127741.3795 151141.3080 299459.7317 1094967.7940 242029.1010 179686.3383 184537.0418 555611.0550 745468.0193 497739.1517 422996.9501 485172.3835 246435.0745 168013.4587 250023.7155 310740.6510 242382.5056 328751.0853 569606.0250 609921.2700 385802.5509 273310.1697 94070.6566 101343.4308 193584.3882 139592.3811 248931.5174 239624.1434 320275.1139 344517.1568 289474.3756 771658.9944 193431.8613 164189.7503 231132.2050 172226.8879 303696.9960 184621.5594 244500.9466 241791.3375 227010.9932 329071.1189 TG(58:4)_M+NH3_feature5 TG 58:4 164021.9745 181267.1634 159832.5703 287094.4723 190019.4429 425655.8808 438201.9858 435963.6299 560176.7111 411786.8052 383.3056 364.3515 371.7301 398.7135 408.6781 384.5331 313617.8729 358086.6237 295837.9045 283416.5908 276059.7512 360299.7176 240488.3199 340584.7429 342352.3877 429761.6462 349804.3724 279574.6908 320615.5974 227024.8881 724335.4178 270581.2147 124799.8049 204370.5163 683912.8531 812219.1234 573936.8784 603953.9651 416125.4844 203806.7912 208382.6072 284299.1206 277863.1960 277686.5244 429059.6279 878415.5732 716799.7501 449831.0297 384849.2388 109256.1817 135046.5937 154327.8226 168318.9987 241051.5741 307621.8216 361560.7460 528235.2639 439874.2228 717654.6967 180680.8667 190918.1933 203733.7596 180728.9316 337912.5602 240022.3399 200497.2199 212364.9170 257949.2225 352092.2923 TG(58:5)_M+NH3_feature2 TG 58:5 8343.2608 5954.9404 5258.4217 16124.5537 16352.2192 144227.2126 292754.5343 365726.3556 418589.7263 234635.1504 119.6167 115.6083 117.9296 211.3187 217.6239 216.4590 94980.3076 80527.1018 72853.7348 60503.0672 69516.1985 91464.2334 91590.3944 66208.8734 94466.4757 71886.2621 97458.3533 33656.3729 46542.7582 76961.9678 80468.9613 8026.3876 9016.2658 9039.1100 336034.9349 345932.5840 222914.6924 305145.8525 199229.7397 24505.2111 7721.1047 95756.4419 60810.9227 13583.8626 182958.0316 535818.1085 657357.5656 195745.6152 136550.1500 5402.8367 5001.1600 12197.1949 9265.8392 14027.6262 96589.0155 57229.4561 137438.4332 152949.5444 185396.3829 6018.6703 11762.6124 3998.5471 6234.6716 15429.2521 19387.5801 21366.7957 50932.8256 33360.6862 36471.0353 TG(58:5)_M+NH3_feature3 TG 58:5 297329.4168 284124.0028 266935.3902 396268.0190 470797.9361 898636.3036 879784.2167 1129449.8980 1007270.2280 1096254.0570 442.6052 424.3482 424.5996 251.5916 261.1701 253.6970 494049.9748 655400.7875 696202.7594 709472.9766 797190.0409 685025.9690 649448.0326 618564.3824 614596.2841 689205.4004 622389.1532 503368.4052 557106.7994 421435.1871 490764.6170 277920.2328 416449.4808 469102.6177 768186.2348 696721.2087 924096.9981 854034.8252 1040714.2610 572226.1198 453629.5519 615894.1485 617997.0590 544276.4812 863352.6659 771731.2340 1417097.8710 761270.6694 850697.9678 272001.6034 285012.2207 486071.0619 337064.7022 409894.1190 711119.8983 490544.4836 552665.4030 861030.6864 571858.3438 256586.3031 476197.2650 241477.3899 400417.9488 446188.3936 465813.7387 378411.5375 677277.2508 694510.3848 667606.9154 TG(58:5)_M+NH3_feature4 TG 58:5 7716.6000 5847.6223 3690.3786 11645.4295 10884.8217 34843.1803 170104.6441 98493.0194 284111.9431 161355.9385 142.4979 154.5578 159.4253 307.9779 303.7525 302.4139 49350.4062 37860.9944 36324.6912 39963.8459 39979.3150 42629.2227 31579.8830 44114.2575 51263.3190 41685.3993 101060.2768 28126.0748 23867.9770 13175.8877 120028.3975 15743.4944 8691.0128 12267.0541 289675.8214 213034.0787 151640.6950 173476.1221 145188.3544 20229.5213 10755.2049 30671.8537 44636.8706 10189.8288 74442.3876 398570.8853 362768.8047 74293.7148 51775.1275 7728.1789 6993.2264 10534.1635 10519.8568 10373.5068 36846.9386 27508.2430 79038.1917 60739.6036 113641.3176 7581.7424 10986.2663 7775.6760 10174.7751 7615.1501 14820.1236 12501.2723 22723.9230 16180.3024 22947.3031 TG(58:5)_M+NH3_feature6 TG 58:5 263416.7875 267889.9598 139689.6804 442270.4271 545805.9007 796102.3038 1394934.3910 1341972.6920 1799719.0860 1267234.4370 342.1489 359.8181 349.4129 365.9268 373.1309 380.1297 725617.6643 693375.8017 747105.3790 708751.6622 631121.4590 710747.9723 703888.4412 703571.2344 742524.5816 871732.4847 862110.2821 426967.5837 514693.1685 586030.7684 1150154.8500 394707.7524 270897.5016 284079.2134 1516953.4210 1647737.0230 1370833.5840 1356887.1800 1516220.3230 433467.3004 368241.5049 695844.0372 799524.4897 397318.3238 1129169.1520 1556289.1130 2621407.5330 860564.4200 883759.3719 166041.5667 273764.9410 375372.8278 293225.3599 336750.9042 624610.5063 480503.4684 934608.4903 908139.0246 1099071.7880 148506.8924 340262.9245 163597.1382 187737.2193 396733.2356 420200.1683 325511.7044 567483.2610 478508.2347 485881.3918 TG(58:6)_M+NH3_feature3 TG 58:6 22943.5671 13741.5995 28409.9595 63015.1061 64497.4398 211154.7516 275347.2124 275844.5943 409717.5689 295990.3106 311.4924 338.1517 319.0052 412.5274 391.0211 396.5732 155723.7443 90097.0083 157201.7820 145166.1094 144652.7930 128701.7751 142290.4758 120922.5864 141235.9741 195250.3305 172531.7404 124840.3471 94775.2543 61016.7206 138262.9846 33305.9716 29840.9036 40433.6805 305144.8325 373025.8372 317653.4015 343597.2467 327429.0245 68162.8537 39243.2577 90997.2048 87425.2424 61883.4680 226995.6604 343798.0411 603175.0925 208093.5933 218659.1281 21034.4214 23492.3337 34313.6072 30961.1121 76622.4268 170016.8976 134383.4423 236567.3023 218171.8331 209858.6105 31406.8463 52587.5854 43598.5208 50471.3920 63057.0632 61230.8918 59151.3242 89063.4401 90142.4008 93611.1370 TG(58:6)_M+NH3_feature5 TG 58:6 457092.0177 287401.4439 169195.1079 623240.4019 865685.4996 5453517.8220 8194662.4660 9365187.0870 11734609.2000 5465501.0520 388.5326 377.4217 378.1361 377.0701 393.4491 384.1523 3824695.2560 3668451.0620 3844912.5040 3225124.7370 3630205.4320 3584550.3640 3625502.7440 3762279.5820 3779248.3560 3617474.3210 2926379.2390 2605341.2650 1949884.5940 838881.4614 2586898.0870 553491.1660 531559.8214 680381.2327 8385836.5230 8764834.7400 7407202.7970 7689023.9760 8677855.1010 1009807.3600 584882.9749 1305008.4350 2288153.9360 811677.1042 5790374.1690 9149585.5760 11120532.7500 4705696.6830 4708610.6250 320203.7888 438953.9862 571068.1357 580982.2620 646683.9139 3367777.0600 1833337.8280 5556607.2970 5832857.7350 4822790.1060 350168.8427 739085.7824 334783.7747 466590.0006 724025.5627 2142896.0530 1389034.2050 3197630.5540 1689578.3070 1761726.8080 TG(58:7)>TG(18:0_18:1_22:6)_M+NH3_feature3 TG 18:0_18:1_22:6 1407035.2690 1291510.6080 1342547.8970 2811322.7120 3587193.3430 13308000.4600 16822217.2900 18656122.8600 20523313.4500 15712117.8000 574.2923 619.4986 599.5679 529.3045 582.6987 606.4286 6568931.6780 9033183.9450 6466206.3300 8806322.2870 9368996.9070 8040848.3250 5987063.7290 8288679.3570 7709431.7570 9102811.3430 6121362.8300 6985785.4030 6622523.7980 2621288.3010 6488383.2320 1688986.0240 1494190.0640 2008136.0500 17030920.0200 17347918.5800 15236586.7900 15726834.8500 18053383.6600 3132218.4870 2111929.8680 4255609.6950 4655777.8640 1926984.9410 15104918.3400 22874046.4100 28037221.9000 13003851.0600 12953291.6900 1307651.3140 1142947.8840 2009117.6040 2030158.2170 2714669.1560 7786931.0370 9051921.6120 12193224.9300 14596351.1400 12170047.3100 1455552.3670 2519660.1540 1230003.9560 1424421.6020 2091951.4830 5498714.2480 4256309.1170 5029581.9500 5164730.8830 4406701.5360 TG(58:7)>TG(18:0_18:1_22:6)_M+NH3_feature5 TG 18:0_18:1_22:6 245233.2072 228634.3448 292135.6865 360156.0264 475665.4723 727937.6699 971258.3365 999473.2502 1279131.2840 895306.7713 354.8616 344.6531 345.9482 369.6266 378.5197 377.3699 593007.5137 602206.6737 604809.5033 622002.4597 580254.0678 611708.7528 605339.5617 585166.0970 608570.5745 609836.1366 631025.6943 345698.4977 364736.6758 551040.2648 978356.4308 393556.4665 307401.6466 307251.6292 1152632.7950 1145679.6140 1084814.0800 893362.2498 939989.3278 543737.7931 405983.1299 528153.7708 686937.2902 427061.2482 867861.0483 1308183.2660 1905203.0700 779587.3234 663664.3469 180797.5288 205897.6013 299175.9832 229854.6442 368850.2122 627470.2754 472381.1824 1039657.5890 854315.4051 839493.8109 277816.9510 363431.9103 232164.1960 231493.2080 305634.4976 328972.7129 269523.0737 386831.1737 300899.8117 453366.1127 TG(58:8)>TG(18:0_20:4_20:4)_and_TG(18:0_18:2_22:6)_M+NH3_feature6 TG 58:8 1304898.4740 1243191.8620 1867599.2330 1311885.2420 2308975.4750 2017260.5600 1814281.7060 1890196.5800 2686223.6950 2342335.1090 365.2387 358.2121 380.4177 361.6910 369.2894 363.8199 1887949.2440 1618812.7230 1788173.1500 1913333.3830 1658425.7740 1814023.4390 1528224.7960 1847127.1590 1882661.9550 3175216.2290 3735139.4130 1016814.5790 1036085.2040 2362810.4300 2207606.7930 2409807.8650 1843680.5580 1397490.6660 2466202.7720 2750106.8750 3007447.0880 2431139.3390 2019025.8060 2710968.9780 1588053.9000 2148241.7960 2257663.2120 2358627.0310 2671689.5850 2287491.6390 3216393.6010 2121292.8690 1363910.8730 586184.0690 1005845.2790 1029126.9860 999442.9780 1227886.6960 1536282.7400 1229715.7910 3064250.9680 1803744.1300 1486236.9440 994903.4242 1147141.4770 488248.3014 466429.1355 1018024.7470 1386169.5450 789328.9527 980575.1249 731564.6523 1207309.2350 TG(58:8)_M+NH3_feature1 TG 58:8 107110.1007 68974.8514 243771.9479 24656.1382 216903.4692 731971.4607 754482.3549 869767.1124 944389.2379 719434.4551 225.7038 222.7620 224.8947 125.1770 135.7114 131.9420 335347.2972 570929.9521 323790.8207 405535.5662 400652.2788 409664.1197 412338.3200 470157.3837 370064.5404 530526.0884 566001.3785 259842.3818 242837.5510 1817.6011 353381.1859 16553.7238 102197.2509 49965.0674 761094.6493 949361.2666 786764.7655 73250.5979 573950.4910 267671.3879 7903.4758 339808.7137 393208.6612 43995.9685 848753.9081 910470.5155 980011.0966 649035.6452 508915.7963 65217.8980 83986.9178 80306.0146 70921.5453 199785.4325 16652.2833 400925.4448 1238509.8890 603596.9702 354332.8581 78026.9212 108693.5257 50568.0310 44132.6805 89667.8566 448057.0523 120821.0743 439660.0773 254009.7530 172970.8705 TG(58:8)_M+NH3_feature3 TG 58:8 1071719.4850 811756.3366 1152780.4120 1563503.3040 2207199.6290 9520218.0800 13329199.4500 14838770.2900 19332937.9700 11535770 392.9608 419.0709 411.9437 426.2892 425.6827 438.1790 6259152.3730 5952786.0930 6398436.2910 6867420.9950 6148682.6710 5873164.6640 6233140.1540 5962123.7310 6611618.3460 9014095.5790 9496947.3940 4604935.3970 5102627.3740 1985724.4410 3748080.3260 971368.5109 1258135.5680 1946115.9740 13404162.0100 16580095.6400 13894234.4900 12982332.5500 10823594.7800 2440997.1440 1365817.8260 3098927.0200 3534407.4950 1442938.6910 13803558.8100 17943276.4100 23700759.0500 10924778.5600 8922935.2440 1011675.1650 963126.2986 1428841.6990 1175655.4540 1806485.6380 11132305.2600 7838536.1520 16049597.3100 7176064.2530 8768892.5270 1023779.7090 1685835.4400 781438.0668 1066703.6840 1344507.3630 4978883.0920 2952837.0790 5345641.2990 3984943.8650 4327886.8400 TG(58:8)_M+NH3_feature5 TG 58:8 1400687.9470 1042580.2400 1303879.2470 1791799.4240 2318526.8480 5941705.2890 8033767.3820 8159121.5780 9785194.5060 6496040.9860 782.3021 2664.6998 2168.7841 837.1712 1842.4437 1666.1868 4006892.3320 4363780.9060 5682379.7740 4608008.1170 4273041.0320 4619204.9000 4407540.7750 4608222.2860 4492397.8160 2748735.8040 4307483.1910 2978533.1840 3327020.8940 2601288.9370 2334325.8750 1413549.8900 1786729.4000 2028956.2150 7697122.3080 7853121.6390 7720678.6750 8036916.2600 7776349.9760 2636351.6300 1769403.6500 3296320.1380 4759574.8400 2145607.1680 7810824.5320 9652312.0600 15917446.2800 6290604.7650 5929573.8330 1283073.9880 1240646.3800 1858023.7760 1749009.5090 2241776.8030 6339466.8150 3570017.8260 7967878.3980 3309636.5250 5988985.9600 1541255.6290 2411446.3530 1308800.8870 1293382.8680 1564846.5840 3175040.7210 2354798.1910 3432981.2810 3498735.2890 2801646.7010 TG(58:9)_M+NH3_feature1 TG 58:9 542391.6181 441693.4317 779636.3875 487576.4506 924909.9239 1603029.4170 2497001.3690 2975590.7100 3013710.8580 2140340.6080 855.6665 569.2552 571.4177 595.3931 555.3349 596.0204 1355814.6100 1328529.9440 1324162.6660 1394222.8930 1311098.6210 1333390.6350 1285848.5780 1386431.2830 1349926.9710 1803565.8670 1949819.7780 906148.4866 1009332.8530 975469.8442 653369.3458 652985.1105 519074.8332 509156.7314 3228971.3610 2996556.7090 2589745.0200 2556145.6760 1995825.0600 823815.2536 506606.4640 936067.7971 1301396.1380 894095.8572 3383318.7510 3071209.7460 5137063.2800 2277743.2620 1484662.9570 424218.7374 581736.6383 471289.8945 731378.1728 742611.2469 2199611.4850 1506692.6450 4544085.3790 2934899.7190 1794451.9740 588828.0523 686655.6263 362123.4410 264153.5988 409241.3394 1277101.9210 684629.9553 1005219.0730 553296.0819 669990.5371 TG(58:9)_M+NH3_feature2 TG 58:9 335379.6407 232004.5684 562830.5215 600162.0117 681472.1978 4050290.8410 6321761.5800 6279805.7970 9847626.8140 5940440.4440 305.9119 300.1058 307.1685 427.2742 451.6257 451.9283 2643959.3210 2215751.0380 2439122.7750 2546848.2920 2764289.0140 1492599.4690 2093233.3990 2281965.5990 3223124.0990 3701051.4750 5503048.0480 1628400.6280 2494591.8000 654647.4921 903757.8457 610978.4573 269562.2858 443881.3931 6160926.9600 8158700.2920 5721224.1900 6162425.3380 4166765.4410 610457.4199 1109527.7650 727960.6265 1306654.8650 793129.1269 5762601.4570 5952222.1480 8333770.3890 5054148.1630 2139895.1660 356907.4043 248776.4188 681178.6030 633612.3888 526863.1819 5626835.2070 3843494.8960 8471768.9320 6978681.3900 4038033.4110 612650.4190 952206.2046 608729.3456 565626.6901 511028.2130 1823206.4230 869112.4459 2503164.7800 867771.4669 2044525.9580 TG(58:9)_M+NH3_feature3 TG 58:9 3009836.5570 2776502 4605074.5480 3221656.1940 6206549.9930 12669235.9400 17848157.1200 20308911.9500 24170224.1300 17887688.4000 374.5911 365.7190 375.2227 390.9452 383.5423 389.4276 10304340.1300 10007825.2100 9935743.5830 9945045.8390 10134926.7400 10706432.9200 10311552.3300 9959828.0440 9903279.7000 12755398.2900 13278030.8500 7285144.0230 7104441.1800 6137730.8120 6587313.7040 4263910.3750 3726523.4820 4226478.4270 19322967.2900 19889248.0600 18940129.1600 17950915.7400 16887574.1400 6325912.2020 3587860.8640 7347135.4590 8752558.1200 6017650.9260 17786854.8300 21111474.4300 33178304.3300 14266941.6300 13587148.9600 2272998.7720 3130582.4940 3241007.4890 3760949.1960 5180793.3100 14420948.0800 9580792.5590 22815536.8700 18226829.3700 11908003.4500 4000311.9900 5113140.5270 1949723.9990 2167712.5190 3258510.3380 7284243.2180 4726681.1920 7222148.5050 5133394.7430 5808183.0380 TG(60:10)>TG(18:0_20:4_22:6)_M+NH3_feature1 TG 18:0_20:4_22:6 177022.4202 136034.0728 214108.0851 136553.5518 177160.7173 452390.4324 595882.7640 678739.4573 820129.7231 496695.3817 820.3617 843.1524 816.8543 646.5949 772.4246 656.2545 358135.9969 356404.1505 395845.2495 424951.6515 416647.1992 398301.8254 402395.2329 377274.9141 352041.4138 280126.9089 352370.7238 208113.9823 272803.4524 246797.6816 193035.2430 213217.1956 182667.9860 206328.3763 733634.7910 685332.7631 492383.2269 527736.8904 565136.1344 216349.0907 187098.4864 348063.4735 375435.5066 235934.4413 786671.5191 853879.5441 1433694.1250 637791.5056 491803.4796 155433.2809 159550.8413 111677.4994 256953.1652 163328.9055 575971.0058 414112.4559 759383.7093 448588.2592 578409.5941 189924.8652 240947.9223 104429.8109 65712.0541 96874.4478 319119.0747 201825.7584 261999.1534 180348.6652 175306.5640 TG(60:10)>TG(18:0_20:4_22:6)_M+NH3_feature3 TG 18:0_20:4_22:6 332053.9625 253554.5852 399050.2320 488679.2677 717454.1085 3101709.4780 3753428.0250 5306012.4280 4880032.1190 4370293.7000 500.5250 469.1635 481.5967 528.0333 522.3364 519.7488 2090158.8500 1974396.0870 2108361.6290 2177579.4110 2131744.7110 2145846.6570 1837854.2470 2047762.0050 2189861.8220 2186719.4390 1942277.1460 1203331.7350 1467597.5860 594715.8988 644599.7409 487113.7280 445540.4205 665841.4711 4436265.3320 5835763.2900 3903475.3130 4119974.3230 3430809.9610 829220.3788 223804.6825 1314418.2640 1494307.1970 680720.5305 5781222.1780 5411380.1290 6812981.4420 2944099.0920 2731231.7110 372966.5721 206906.9600 367779.8730 439577.8992 557356.2638 3573327.0510 1982270.1490 4941065.0340 3621164.6150 2609891.0690 283153.1004 675865.0315 202372.9740 329622.7361 349304.6535 1398437.2020 826601.9736 1600098.5470 978261.0718 1112529.7900 TG(60:10)>TG(18:0_20:4_22:6)_M+NH3_feature4 TG 18:0_20:4_22:6 135679.6224 94703.1491 137796.0894 191001.3832 237880.2430 520077.4854 925685.1427 949566.3559 1317418.8040 745970.2774 300.7738 310.2256 315.7194 291.1833 278.7926 755.2573 544558.4494 499800.4597 555405.3353 472124.8260 547313.2184 459441.7773 596654.9072 527912.3628 501048.9152 323212.5361 378271.9671 251325.6321 177169.7488 205335.3831 340392.0216 140232.1200 196016.8662 196729.3968 1271412.8930 1144514.1500 1018035.2120 964103.4267 904596.9598 311181.4374 310771.3310 420946.4297 419467.9058 187974.8334 680851.9759 1093518.4620 3247372.8680 746955.6298 718107.2491 195327.1626 135998.5064 249882.8085 146090.8158 244581.6837 695620.2707 385968.8479 907342.2714 725248.0703 766114.7416 117234.9341 327802.9751 92202.1269 128862.5746 141385.9140 299791.0872 221366.4616 418006.1743 302609.8921 248666.4527 TG(60:10)>TG(18:0_20:4_22:6)_M+NH3_feature5 TG 18:0_20:4_22:6 228422.4547 191756.4632 231783.6998 243266.8701 340202.0857 274622.0117 361203.4582 343087.6979 449343.9232 375774.5080 558.4126 1900.9489 1546.2493 565.2350 1242.8797 1122.9977 294969.3837 285579.2103 299681.7906 294950.7469 277870.3031 277020.8730 284926.2423 308918.6177 290076.8888 349331.8422 200013.1888 182996.3167 115740.9618 333122.6511 174639.0915 268733.2109 244627.8368 210629.2177 437969.8005 457648.4781 479108.3749 338965.8960 456327.2466 339058.7025 232958.1240 284025.2224 277458.7773 297056.1566 410784.8949 371360.6158 523192.2760 334579.8103 270135.2282 134313.1626 196758.3830 172758.1616 191098.0088 222797.3653 298353.2318 261417.4471 551922.9371 401848.9066 254210.7067 159130.3987 197034.0720 124371.5966 114802.0943 145784.6131 217441.7105 196432.9825 191024.1572 173355.3593 233010.8315 TG(60:3)_M+NH3_feature2 TG 60:3 29626.9187 94930.4158 73766.7596 93653.2636 105880.8856 85390.4261 181756.8871 168615.1840 214214.7834 147212.2209 484.4610 495.4270 484.5823 375.9893 380.7216 379.5376 141918.1487 84519.4281 148364.9185 142885.2094 138854.9349 80238.1607 125457.6450 135579.8877 130072.6191 115425.8062 101266.9543 104818.1356 91074.2978 126644.6716 230240.6390 106233.7340 69243.5666 59874.0626 248017.1153 276303.9588 253608.3525 108422.1432 187587.2818 135573.2763 84300.5305 79312.1767 84915.3393 163937.3363 145615.7655 206603.7345 265448.0860 156441.8740 111556.5350 43893.1599 52220.7964 63590.4237 70000.9164 136173.9129 138522.3614 157263.8942 172097.7857 77360.0906 290064.0099 95874.8459 80594.7895 108210.0267 88987.1629 153327.2707 88882.4617 82115.9827 116444.0242 77055.7577 158658.0426 TG(60:4)_M+NH3_feature1 TG 60:4 30698.4071 69732.9676 38362.8431 88703.5781 59393.4761 105145.4006 110207.1402 110891.3410 156776.5027 113704.4756 333.3023 331.7179 339.7267 336.7402 326.1798 338.1507 74853.7390 119223.2517 90726.2544 100361.0607 117322.6684 110708.8641 80311.0587 94893.2625 97619.9430 80054.8498 82532.8269 64248.9405 69521.5932 74316.6230 364231.8927 68419.4873 71027.5280 57539.2942 222118.6565 250251.5486 182710.7606 159321.6634 142840.2063 89531.9933 61034.4395 66791.6946 116828.6533 76755.0052 113344.3514 216295.7299 246907.3224 144941.1833 107325.7355 34085.5517 29129.8668 87150.3598 56992.9663 99550.4105 72465.5830 129823.0129 105770.5659 80483.3307 275488.4503 52292.1400 51890.4746 73680.9681 55111.4216 109561.9219 58633.8467 88206.9442 109725.3623 84754.3229 86388.4561 Ubiquinol Q10_M+NH3_feature1 Coenzyme Q10 1529285.9930 1240685.7560 1788954.4240 1902855.1050 1992184.6910 928542.4405 2019001.3120 1371466.5740 1312964.1660 1141180.3060 225.2913 236.4759 228.6929 288.2329 296.8194 282.2465 1358859.7520 1317127.4640 1300762.7530 1364299.0260 1255851.9580 1397878.2810 1336333.1120 1382968.5250 1275962.7720 550805.7112 659282.3992 456741.2237 540364.9457 1998185.0400 848564.7382 1483748.2040 1345898.5330 1297333.6740 1157605.5930 1141377.1610 1517001.3050 1919084.0720 1082444.5380 2096339.5700 1408263.2310 1361301.6770 3166955.7700 2545512.4120 1801565.2030 1822244.9770 1785310.4470 1237613.9130 761068.2117 1437840.5010 2074916.5220 1042493.5440 1629146.1010 2574623.3820 699100.3515 1281591.1330 1453390.1580 992799.9640 914352.7821 1189825.9670 1338314.1560 1640236.4570 841868.2552 1362084.4240 1452170.4890 1210331.8020 1399888.8470 1036844.2620 1405636.2130 Ubiquinol Q9_feature1 Coenzyme Q9 15913878.3100 14261101.6800 16289003.1100 18329806.2000 19086323.4700 10045783.8300 14306810.8700 11807877.3400 11521765.5000 11299249.0800 916.8212 962.3978 1188.2028 1090.4347 1145.1129 1168.1985 14071544.5700 12759926.1800 13596165.9000 13389449.8800 12683661.3800 13200861.9000 12529296.8500 14456057.9800 13447568.3900 10239178.6000 10987422.6600 10041490.4600 11649288.7400 19049414.7300 10403250.4200 14383081.5500 13777019.3700 13257599.6200 11362412.5300 12404844.4900 14644242.2400 15931549.8300 11737209.9600 18666653.1400 14013548.6200 15352714.7900 24041834.0700 20813452.0100 15732733.8200 14862649 15871724.6200 12060362.1200 9070269.3130 14885646.7100 18434598.6000 12616237.2500 16294333.0900 21612630.6300 7975172.6330 11614773.2400 14164070.0800 9911021.9240 7938657.0540 16777241.3400 13933054.2300 19110080.5500 11907971.1600 15619864.9900 12725827.4600 13380427.2700 14053047.5400 11519493.5400 12594377.8400