Metabolite_name RefMet_name 90245015510 90248015510 90252015510 90265015510 90266015510 90217015510 90229015510 90232015510 90237015510 90239015510 SampleBlank01 SampleBlank02 SampleBlank03 SampleBlank04 SampleBlank05 SampleBlank06 QC01 QC02 QC03 QC04 QC05 QC06 QC07 QC08 IPE_Reference_Gastrocnemius IPE_Reference_Gastrocnemius02 SED_Reference_Gastrocnemius SED_Reference_Gastrocnemius02 90559015510 90560015510 90564015510 90567015510 90571015510 90421015510 90422015510 90423015510 90426015510 90430015510 90576015510 90578015510 90581015510 90585015510 90587015510 90439015510 90441015510 90444015510 90449015510 90450015510 90406015510 90410015510 90412015510 90416015510 90420015510 90280015510 90281015510 90283015510 90289015510 90292015510 90251015510 90254015510 90258015510 90259015510 90267015510 90218015510 90222015510 90223015510 90225015510 90227015510 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-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 181042.2760 185555.6116 203779.5826 224419.2579 145922.1812 230215.0282 317223.1658 290983.0709 234080.0984 206591.1046 941.7415 2817.7675 2819.0522 2763.0025 2817.0170 2411.9340 172431.5686 193809.3512 233926.4291 231120.4595 231603.0433 159035.1221 268082.8277 154443.2668 138065.6119 173090.3660 177442.7080 161922.7581 246777.6874 206972.9633 369450.2817 220781.5704 258581.7057 168119.9119 282039.8113 202459.9878 281436.1893 167681.7891 213488.3948 152059.2076 180517.7574 199330.5627 192293.0682 180878.1166 249900.7395 104664.7429 184807.4198 183578.7833 124965.6675 213160.5806 47520.4932 292607.4453 155085.3904 89063.7302 139116.6732 141166.5271 80171.3421 121804.8288 282387.6064 216386.4417 199776.1349 296245.4353 154993.6629 168273.7042 248674.1049 203369.3172 217490.5883 298251.0098 Car(14:0)_feature1 CAR 14:0 38068.0729 70367.6081 131790.9590 37360.6174 35520.1190 108167.6481 72351.6999 81432.1786 73349.8027 46517.1700 863.8184 1268.8439 1213.8819 148.7147 1617.8948 1570.5518 96669.2332 89667.7559 79768.0183 94238.5989 81006.6782 95242.3627 89139.5058 92453.9282 554348.0077 657257.6329 330723.1581 375648.9417 373232.5938 82398.1228 80298.6484 69999.5971 109328.1720 145692.0114 130142.6868 28862.8256 49601.8254 49354.4101 218489.9764 52202.8160 73418.3033 72022.9174 48817.0972 66915.6119 73479.3592 48468.9263 221745.2792 83200.8106 133751.3003 107273.9854 92592.6107 137212.1523 222634.3738 44232.5007 36942.8265 120199.9352 48556.7323 91648.1366 269085.1786 66419.3999 66404.7078 51523.9341 36812.3469 29257.6391 46954.0004 28599.2212 34481.2743 45921.0580 Car(16:0)_feature1 CAR 16:0 242682.5772 386413.0182 689997.8421 216691.1808 202515.8457 772685.8193 730940.4848 746062.8663 655028.9120 438287.9181 161.4211 1311.8856 1226.9034 171.6408 1292.5842 1218.0267 525907.5617 505258.1169 474897.9573 496197.7718 501823.0824 498055.9114 509114.9059 509939.6965 1758360.3630 1694490.9790 1210168.5240 1146090.8530 1099511.7860 465561.4318 527191.1173 330572.0455 509767.9279 718499.4783 699410.6779 299480.9701 377656.6707 464918.3459 955933.1064 229221.4230 460180.1159 351751.6820 281163.6496 523350.5559 523907.8137 381160.0642 983407.3219 683227.1811 644726.6651 569107.2600 512051.3198 692506.1040 545936.1273 357455.9703 301978.4636 696938.5845 430397.1025 726774.3568 880577.4321 573300.4604 390705.5123 254576.7380 217659.1725 315745.8796 474495.6478 275326.1768 306795.1153 293104.9950 Car(18:0)_feature1 CAR 18:0 69293.1830 126877.9895 217112.2144 71375.5163 75127.9961 264858.8409 153026.8500 186246.4494 216636.6856 115634.7551 483.4748 13734.7926 12537.9892 15547.5071 1677.4334 1833.3009 168994.4490 162092.8176 159577.7050 157499.6862 165223.7612 163084.7228 156086.6191 169709.1008 912426.6218 836231.2372 455953.2905 434720.5242 319171.8917 179087.0237 176363.7996 119263.2127 142430.0161 162335.5805 202168.5865 77243.8082 98348.5272 115994.6501 309135.1048 95822.9622 183817.3296 160539.7316 110483.3403 141514.6842 170815.8129 106184.1254 309199.1044 176368.2675 231842.9492 209298.7017 181651.2308 269889.7091 226186.1691 157472.7992 108770.9884 249115.2155 142897.9891 205159.9759 288788.8560 203959.3807 139783.8194 92487.8703 100050.0731 115454.1040 169563.3221 98900.1126 108007.0357 118144.1046 Car(18:1)_feature1 CAR 18:1 231992.5379 364319.4061 569332.8437 162708.3882 147952.6267 790530.1132 959101.4042 1099983.4000 625270.8940 424403.1486 162.5867 1074.5388 1032.5952 227.3184 1683.0842 1204.4044 506295.9274 499936.3293 485001.9386 493091.5002 484367.0698 510853.3637 492535.9146 500862.5323 1877712.3300 1855287.3120 1072897.4160 1056926.3190 898244.7980 391973.8122 495356.5269 289172.3191 467108.8790 656683.9486 692900.9226 267925.7711 328118.4231 463250.8606 966075.8047 185619.8111 473749.3423 341232.1760 228769.8603 479453.6994 580169.1565 365114.1796 1076209.1800 747953.2527 665924.1059 501384.6771 674844.3329 668173.7869 421357.8665 348223.2507 230688.3822 756671.3393 415267.2137 710199.0512 794841.8939 617288.1540 298464.5817 218258.1323 161266.4549 382996.1185 585688.7595 252688.5918 298736.9758 210280.3695 Car(18:2)_feature1 CAR 18:2 91629.7159 178020.6889 282861.0615 68334.4012 70975.6005 375442.7184 697436.9844 517911.1692 321638.9490 221335.0420 130.1684 3247.1665 2778.2676 139.6166 2453.3614 2224.2690 280249.4216 237013.5382 261010.0081 267963.7572 272488.0008 244892.8169 275710.4260 257089.5775 1428136.3160 1211540.4740 615587.8906 599962.5487 389657.2089 155316.5502 272049.1231 101106.4500 247468.1297 381804.8701 345010.4693 134482.1192 157670.3049 170254.2295 529150.3441 80681.3994 251413.7607 161061.5885 88185.1352 265586.3166 360369.1884 181584.2243 729068.5411 425452.7901 354616.1302 273727.8507 508832.9632 362514.4494 304762.2642 121560.5190 129925.7512 426886.9688 198470.9351 343811.1690 443659.0348 310164.8043 170793.5444 85508.8682 62519.4916 90966.8380 331974.0238 122479.5859 109064.7282 105236.8855 Car(20:4)_feature1 CAR 20:4 22859.7062 49200.9379 62178.3671 18974.5935 18726.9220 71118.4246 76194.8426 74228.3570 73646.4765 41725.8051 91.5985 1780.3338 1838.1368 143.7957 1684.3082 1980.8553 69439.6733 52501.1267 42309.4476 65099.4235 56914.7936 55315.6096 51744.2785 64725.5415 389189.6258 347628.5632 175546.9034 174784.2016 86651.8498 53602.3454 66121.7426 49909.4485 61605.5130 81018.4757 83529.4662 30612.7882 30606.2397 49794.9443 256709.4332 43940.8217 47380.0442 40456.5035 32564.4028 56750.6863 68164.0396 38532.5122 124486.8930 68181.9880 75249.8480 74524.1755 85974.2979 104855.4211 81127.5801 17729.4185 26672.8045 82027.3534 35225.1917 76910.9419 69064.8002 70732.8546 24410.3343 22394.4483 22600.5825 21560.5101 54494.2379 18638.1708 29272.8122 19915.6243 Car(2:0)_feature1 CAR 2:0 13736438.6000 13562905.1800 23098745.4300 18584824.2300 13173196.1300 37019474.9200 13522655.5500 14124117.4700 17368459.3600 9819611.8940 8037.7464 9856.3387 16204.1960 4749.9655 9880.7049 8965.4496 15649041.8400 16286668.6700 15614527.7200 16143167.3900 16167052.8900 16475834.2400 15578836.1900 15812745.6200 69891317.4400 70005008.1900 28712124.3700 28372722.2100 19298355.0100 15784731.4700 16462784.7800 24955242.4300 10364461.1300 11427713 15274881.4900 8647522.2040 9233513.7190 12309818.9500 24284495.5800 13118929.1400 19236847.1000 19877543.6700 19153057.8700 14535804.8100 13772652.0900 11381659.4800 9167627.1080 12476943.1500 6133230.0630 14248054.4600 6153643.3280 11319232.1500 25226990.3800 12414531.0600 14197006.3000 16125355.0300 9689567.3720 10612377.2500 18018869.6200 27199214.6200 29599796.1800 14899611.0700 18984082.1300 12860374.4400 12290573.5900 14090724.2700 13652122.3300 27850072.8600 Car(3:0)_feature1 CAR 3:0 254391.5699 267432.7188 228568.2429 161709.4443 190335.1507 210405.8460 223221.4847 227659.9828 260971.8606 160962.7429 1891.1195 2041.2825 3540.0787 153.6406 2436.7519 2013.6197 219828.6712 205512.8774 205880.6541 211734.0237 215073.5076 216845.0971 205387.0516 213883.8334 782262.5186 765297.5491 359622.3266 346328.1247 230287.5814 140873.3211 244898.8583 404873.0559 211732.4292 182212.9127 201016.1017 147881.3504 166072.6831 148022.9521 359226.7682 125008.7403 287485.8517 172127.7736 266898.6283 162192.0916 176307.3132 118488.0474 190767.8283 167137.8153 192229.3609 195285.0007 94047.5645 276234.1106 299350.1332 112435.5970 151530.2731 191884.5218 138766.4806 166178.7091 289417.2222 291228.0057 382820.4511 195287.4126 320826.3146 159085.9264 208529.0682 146443.2018 153610.5782 228600.8800 Car(4:0)_feature1 CAR 4:0 106140.2358 237615.0098 227471.6978 115718.6327 127459.0960 143740.6279 135216.6948 188669.9497 222581.8931 129467.8665 2549.9274 5344.2562 2278.9508 1236.6377 1652.0616 1633.6355 134631.9261 138543.7845 141539.1880 131223.5556 137309.4585 145562.6891 130147.8872 138497.7342 1390463.4300 1041829.9440 317588.6539 235039.3943 192296.8300 229889.3773 164438.2335 154834.2023 133749.8793 145687.6801 147933.4333 150607.5205 124642.6468 130754.7810 215962.3166 110781.2718 189026.4083 129646.4980 169666.0877 198570.6821 187732.8796 146419.3568 74594.3179 192773.4656 95081.9590 140577.7291 61811.2535 212133.3763 143980.7774 105375.2137 104884.3152 127906.3996 83736.9823 122038.4126 113208.8153 161270.1935 114231.3888 111563.3248 107077.6921 105882.8216 80268.3996 123742.8791 84353.1320 114849.2719 Car(4:0-OH)_feature1 CAR 4:0;OH 417742.4410 547414.9374 761005.1029 153201.6662 433182.6202 1021467.1640 640692.3029 431954.2210 410905.1626 205137.6022 882.6601 2258.2420 2219.1744 969.5795 2249.0262 2233.3761 452594.5606 496777.8050 409247.8042 455708.4245 478696.3019 434278.9188 501473.5168 436401.2130 2505553.1770 2502581.2910 672780.7696 753438.9989 545830.0319 363610.3563 788645.3816 651239.0275 330425.5437 481726.0869 601012.0810 257373.3634 354003.5171 406961.1050 593952.4272 420463.7419 864550.9042 787619.6375 589638.8845 528855.3275 399300.8062 419209.2056 312890.0469 475190.7411 318131.7156 367183.0972 110332.1965 299009.9363 412493.5253 246051.8823 240868.4888 534641.9197 362620.4062 324153.3966 675716.1307 1190440.8970 286969.4144 285081.6538 393549.5820 500504.4723 374738.5563 395113.2900 317949.8930 258796.9103 carnitine_feature1 Carnitine 149864748.2000 179986681.6000 148366205.3000 153259872.9000 125984036.6000 224209476.5000 219096659.1000 280977943.9000 246454588.1000 180882354.1000 24987.0100 9461.5591 32819.1537 31351.1989 41199.0044 25008.9657 190689226.1000 193572410 193298090.6000 195886785.5000 199987326.3000 205396816.5000 188710104.1000 188554379.3000 132944639.6000 147441412.5000 175025070 178422987.4000 193204505.1000 171894975.3000 192296667 187892718.4000 181071408.8000 156945092.1000 211417084.6000 172624186.8000 211542772.2000 165926295.3000 192703601.1000 142963924.7000 162822143.3000 196141473.9000 201216680.3000 200930508.9000 217449184.3000 169791734.3000 183923964.1000 271779076.6000 178193796.6000 187872201.4000 111421701.3000 203069194.1000 151447910.7000 223389789.8000 197561093.6000 179520080.8000 156842181 233052552.9000 182312224.6000 186990237.6000 210087483.9000 208682403.3000 167952744.5000 222890167.5000 214450882.9000 221148151.7000 186774076.4000 258994696.2000 Cer(d34:1)>Cer(d18:1/16:0)_feature1 Cer 18:1;O2/16:0 93643.6529 88184.6655 98007.0932 85605.1030 73909.4504 103911.5957 70557.1449 138677.5833 99345.6663 77327.9933 603.7850 544.6383 609.1094 646.4562 537.2941 616.7454 86301.9077 91664.0050 77556.6665 82234.5305 98626.1150 78133.9001 89068.2083 85578.1561 93203.4136 93144.7766 75983.0494 77640.0857 76351.2564 108435.7900 81061.7853 108662.3714 103144.7504 63698.4624 92754.8684 69131.8991 80394.1207 76412.6240 94024.0040 47071.8967 108153.0157 89991.6580 86090.3078 91272.1356 69128.6059 89312.9765 59869.1574 106999.8134 72428.1917 87931.7237 39544.1323 93871.0858 90337.5304 120582.6055 76785.1192 73365.1156 73413.9111 100399.5435 55920.6042 87854.8065 84027.0733 64965.9875 51700.3503 94856.6966 83505.0205 54775.9787 64519.7987 53660.8019 Cer(d36:1)>Cer(d18:1/18:0)_feature1 Cer 18:1;O2/18:0 5146919.4950 5237005.9620 5316014.6420 4339440.5820 4651624.6140 6086825.0110 4881525.3230 6394636.0460 6766292.6990 4112091.7070 1787.2735 3237.0373 1721.1104 2407.9824 3090.4783 12590.4363 5123893.6870 4849155.2430 4924057.7090 4905746.8700 4787501.2250 4927610.3400 4878456.5620 5095865.6690 3585950.5850 3516726.9860 4027847.6870 3950393.3060 4685820.1350 4895417.7170 4681335.1320 5375399.8340 4900310.5160 3908614.6170 5078510.8860 3293782.6980 4256458.5170 3647905.8680 4825389.8160 3375569.8220 4231421.0130 4994904.5560 5054846.3210 4744578.0450 4403960.5470 3666294.1580 3716095.3590 5492699.9850 5066780.8390 5975822.4810 4175441.7160 6035337.8320 4086494.2700 6370307.2590 4251649.3580 5008399.3780 4537112.6860 6336259.1970 5762307.9470 5568257.0270 5232394.2110 4268939.9170 4004335.8090 5761007.8980 4631732.4620 4022663.6450 3599648.9620 5372285.4830 Cer(d40:1)>Cer(d18:1/22:0)_feature2 Cer 18:1;O2/22:0 1616744.8700 843388.4889 825097.6854 556583.8518 845343.9504 1104983.4050 917134.2120 699438.9642 1339745.6850 471804.1368 1377.8513 1214.5790 1709.5513 1235.2952 1587.6224 2267.8716 1097185.1460 958301.0469 930063.7575 857833.6996 865881.2657 947289.1510 974865.1439 1123635.0090 94113.5829 147494.0080 117967.6449 189130.0963 485827.9591 1712614.2130 454856.2426 1403230.3570 650077.3573 982966.8212 1344093.7050 333428.2718 645083.5626 729410.0570 557730.7154 675098.2193 478350.8491 795993.8626 1310633.3850 1091209.4820 723377.8464 809251.4885 745886.9711 546575.4724 1388467.6330 1597229.2150 1736782.0570 1453170.8130 727846.9576 849716.0441 940612.6650 1702273.6310 1045436.3890 1026356.3930 1263635.6920 896143.7442 1177149.9050 717588.7924 828509.5431 1518495.8690 1085656.9680 592971.2175 860245.1744 636887.7005 Cer(d41:1)>Cer(d18:1/23:0)_feature1 Cer 18:1;O2/23:0 214949.0700 280304.5125 221550.3989 215287.4301 272261.7643 323235.5648 274594.6065 285697.7286 282767.7425 193025.4519 709.9466 5197.9963 8718.0477 745.6780 8552.1403 9625.5757 263702.8149 268654.3712 277260.3441 255630.0310 275313.1334 283916.7271 267740.9130 259434.6725 146306.0203 149872.0380 194464.3681 211120.8074 285438.9150 225207.9895 310035.8725 363031.8569 233900.4330 198376.2793 254884.9233 178706.4120 208041.6615 193153.3730 357192.3460 218970.6235 302365.0557 338312.8513 286285.1265 245038.6680 244669.2882 200121.8458 224236.8079 291273.1328 346486.4175 346034.1889 198169.7430 360748.3825 262932.7094 301674.6502 260983.6346 244560.2068 211050.5729 321141.7190 337301.9409 306486.1326 288381.3682 290564.4668 337512.6265 275511.3731 337366.3330 261289.4378 237161.6277 346975.5802 Cer(d42:1)>Cer(d18:1/24:0)_feature3 Cer 18:1;O2/24:0 849651.0005 973789.6833 834710.6116 820570.9819 740005.0081 1438350.3370 1365136.1760 1595795.8100 1432687.7970 978800.5617 1211.9765 2837.2760 3454.8847 1434.6622 1459.6119 4173.3640 1107986.8530 1159884.5390 1143311.4290 1048346.2670 1032186.4820 1166825.3750 1122555.9170 1131340.1910 526314.7993 585511.7703 722934.9679 829754.5483 1129201.2090 877438.6537 1156990.1890 1399887.3000 981652.8958 1055321.6410 1267624.2700 801448.6029 1092199.7640 993782.5237 1599379.8430 710073.6097 1035698.1500 1411905.9210 1252313.6500 1244722.4310 1208205.8840 1008360.1890 1116195.4990 1697668.7830 1265227.6610 1479326.0660 682497.6882 1324561.8240 932585.6931 1509381.6920 1398984.0540 1221970.2120 1022785.2320 1729556.1450 1396375.6620 1200612.4200 1147326.3610 1189100.8830 1161345.0200 1456521.3790 1568892.0880 1211869.3990 1104164.5070 1753406.4010 Cer(d42:2)>Cer(d18:1/24:1)_feature3 Cer 18:1;O2/24:1 375503.7087 511838.3714 400351.8870 377296.7290 363825.9201 589631.6954 501050.6025 563237.8057 529632.5609 354609.0148 1508.9752 2737.2513 3162.1660 978.8028 2369.1641 2732.3014 452890.8043 435909.9092 458434.6979 440033.8550 463059.7679 449492.5868 458168.8381 437599.0496 294933.9279 298543.5841 330614.3729 333839.8569 444093.7992 368560.7030 478759.8247 542657.6748 446557.0254 392172.7484 447891.0927 334067.9891 385588.6399 394174.3950 706140.2139 316309.4066 463548.4387 492914.0734 460674.5933 412913.7283 445164.9702 342086.1578 347654.8656 582961.6253 572440.8369 512001.6693 317411.1602 507101.7726 367949.5137 643193.7927 521123.8727 461913.1063 411468.7752 596438.4081 571836.0755 517062.5106 466026.2967 392985.2275 421641.1051 497449.4886 584236.4186 476276.0194 483056.8546 597192.2450 Cer(d42:3)>Cer(d18:1/24:2)_and_Cer(d18:2/24:1)_feature2 Cer 42:3;O2 76824.2829 105702.9824 95855.5099 89007.1419 69618.9398 119605.2177 102528.8914 130278.4370 97800.9820 79711.5119 780.5422 796.3542 1176.9975 724.0283 817.6171 1384.9090 97647.9905 107249.0996 96029.7665 95975.1158 90488.5868 98248.5422 102585.3074 100491.0617 78436.3123 70724.5773 80949.9994 74762.8458 91292.8944 89057.5596 90881.1473 90805.5449 92942.2740 72496.6670 78696.4853 72790.0287 90358.0500 80936.0567 142718.4891 63101.9628 99572.2640 100441.1674 91693.1970 81260.8929 99377.1223 72371.8524 66279.6019 128576.6064 100356.7920 115776.4237 54541.0346 105781.2068 80759.7679 132250.9898 106104.1421 83217.9892 87446.6389 124624.0307 111919.3874 102272.2089 83064.5475 79432.2337 77851.9921 102214.9955 110603.8604 93557.5343 92505.0655 115357.1136 Cer(d43:1)>Cer(d18:1/25:0)_feature1and2 Cer 18:1;O2/25:0 54142.3752 56720.2057 51320.0617 50643.1829 48570.8427 170747.0028 186589.7660 197285.2356 179581.8094 111548.6254 832.5684 890.6159 1058.0855 826.8951 925.1163 1111.0489 117509.0905 124789.6231 126725.9294 120627.7752 114392.3032 120059.7089 122838.6066 123052.3379 94189.3107 92671.5623 116884.3616 109532.0658 75565.0452 73315.4018 85820.6607 112756.5894 63533.7523 140909.0301 186417.8341 103717.2552 133020.3010 127906.6460 129441.4557 49503.7920 73029.4842 107166.5309 77924.4642 164092.1515 164987.2538 126429.4005 145586.1655 189602.8610 89230.7660 78014.2968 38028.5803 97687.1695 56874.4686 183977.5032 170244.5881 228049.8579 132983.9556 195650.3229 67250.3937 82585.9376 87579.6282 86891.2981 79680.6303 151029.1397 174528.8235 157828.1117 161354.2223 224893.9503 cholesterol M - H2O_feature1 Cholesterol 698488.4794 695499.5038 911738.7406 644752.0540 759393.6166 538070.8353 611018.4697 673448.1735 670032.0786 591952.0241 596.3787 543.6790 628.9761 618.2023 599.4352 661.7033 529917.0280 650938.7741 829766.1794 647339.5085 544170.7228 723916.0160 570420.4062 655694.6934 592673.6307 635670.9489 479773.2473 738504.0521 602652.4624 549110.4794 791450.1827 594269.0818 541699.2476 706949.6327 799673.8768 575232.5169 829550.5759 660415.5116 743518.3252 396036.5423 624821.7567 624191.5464 823237.6022 649282.8752 532391.0812 570207.7736 616729.8615 672822.3084 624963.4353 688570.2744 559703.1307 516033.5640 822489.8423 777170.9121 514401.7176 572706.2650 662550.5762 632929.0718 540236.9754 755695.7970 518105.2467 801549.8991 443364.3593 919950.0481 665488.1164 608984.8334 877631.3038 921437.0191 Coenzyme Q10_feature1 Coenzyme Q10 536919.3467 609828.6106 439366.9949 403743.7681 486345.1528 933890.4646 1162171.8040 823135.3500 1195171.0160 800262.3460 912.9330 935.7602 969.7024 863.7092 846.6742 919.5311 698642.6150 710880.8684 736089.4284 711867.7829 738507.2352 700454.9868 702175.6003 718593.5151 353150.9495 367931.6823 594711.4952 591063.3678 601947.1436 539680.0971 545644.3232 421682.0099 475357.7344 718226.7635 718324.1715 548748.1166 708587.1153 752315.1358 699027.5389 409078.0598 656433.2469 647004.3002 615840.4121 743277.1812 742128.0146 719660.3771 1048479.0150 1032992.7110 941063.9138 944865.3774 580495.0567 712274.1357 555387.5932 623709.1562 889326.1885 1164375.4940 809304.1823 1124629.0320 762606.2915 681912.3929 775075.8082 775957.1821 496320.5332 743157.0473 1253418.9620 804661.2007 746073.6573 953855.5359 Coenzyme Q9_feature1 Coenzyme Q9 10514779.6700 12796024.3600 10466536.0600 9693579.2370 10385660.3800 18649201.7300 20349679.9900 18864374.1500 24371411.9300 17178397.4200 1807.1114 1888.0624 2084.3883 1703.9593 1825.9439 2089.9524 15730317.5300 16695509.5700 16414053.1700 16449736.5700 15388719.0300 16640782.3700 16315537.5400 16112857.5700 8595878.0610 8074018.9650 12287852.0800 12064492.4800 13783581.6800 11283388.8100 13273805.4500 11315652.1500 12282386.9700 15413029.6500 16692316.1700 13182160.2400 15699692.2700 17089474.1400 15803691.6200 8864962.9180 13300699.5700 15525994.5300 13190864.3500 17059918.4700 17543951.3000 17160896.1000 20326621.1000 24547823.7400 24247545.9400 20347255.5700 11653452.0400 18217783.5600 13660552.5200 15744863.7700 20814528.8800 23471876.4800 16822379.5100 24964103.9700 19285297.7200 14654954.9300 20721096.9400 18802158.7300 12304962.6200 18559273.7400 26747864.9000 18638498.0500 17870842.7300 21538475.5000 DG(32:0)>DG(16:0_16:0_0:0)_M+NH3_feature2 DG 16:0_16:0 302904.3729 354491.8989 334154.2977 325168.2991 267359.9153 326833.4567 350563.7524 376728.2354 326845.0625 295490.8926 1172.6503 21630.9820 19969.1648 1675.5605 20002.0653 20426.6140 298838.3655 317583.5019 298038.3432 304566.8514 326760.0081 282131.2238 314353.2757 305523.1705 318853.7319 315398.0884 289183.0076 313920.5820 331801.3203 373605.3011 297134.6041 359817.9095 300545.5342 331759.8117 309344.2462 270605.6011 330338.7273 276542.1155 370795.2842 284378.9876 290638.8889 286360.5329 328013.5979 310845.5277 308475.6576 297228.9643 292907.1139 322712.3493 285491.3184 349350.4514 252438.2863 361012.4883 270609.2037 317267.8012 272968.0914 331115.6261 300417.8187 308781.4186 319177.2667 338508.2005 312510.4460 288877.8489 293579.9039 277234.9487 295606.4613 280264.8366 262498.9557 285809.1609 DG(34:0)>DG(16:0_18:0_0:0)_M+NH3_feature2 DG 16:0_18:0 614814.8734 568383.3402 581602.3281 634109.3010 511388.8203 650780.7708 648486.4076 615414.5537 573971.1879 585294.2736 5438.5671 4294.6793 4916.2110 4312.7644 3663.5503 4414.1984 577113.1556 582124.5794 624957.7237 568535.2087 601027.6066 620610.8909 572937.1696 582141.6040 589934.7058 631621.9327 583219.8897 640530.3801 593691.5320 694344.6738 578442.1208 683692.2124 587031.9511 575801.2725 604665.0153 556076.2364 593648.4501 597744.1106 756688.0666 557541.1210 573546.0359 615524.6940 650001.6466 586856.1185 571305.5388 574575.3852 559037.5103 603706.8051 580471.2995 676128.6957 545522.2783 622301.4250 604031.1731 607810.1198 580719.7457 618613.1421 560004.3665 619112.1543 613977.7272 635129.9355 630703.5539 580480.4317 561923.0987 550225.2838 653335.8480 536623.6399 593762.7262 557410.3990 DG(34:1)>DG(16:0_18:1_0:0)_M+NH3_feature2 DG 16:0_18:1 721550.8863 790248.5094 1027742.4550 602042.5873 520886.1988 959236.9794 1130576.7010 1233682.9490 887658.6884 849453.9355 1526.2607 2866.4479 2525.0977 1534.0647 2626.7956 2568.2643 778509.5018 794086.1712 758597.9703 768746.4009 806952.3999 727880.4678 794671.7507 785671.1964 811536.1218 828384.1198 739563.7647 830677.9433 855948.9996 1119689.3880 846533.5466 855238.5749 703855.6359 781192.2512 900714.2272 547166.4556 1095637.5080 643079.7060 673339.0078 433240.2440 922258.3202 707078.9027 613384.4789 753244.8016 677046.4344 652407.7262 730134.4117 896626.9260 679507.5369 770095.5087 454704.9452 790750.0383 510744.4302 1007618.4840 576329.4121 823257.0737 1068609.5260 891151.8522 1064065.4360 1011672.8870 840726.2431 729482.0300 656557.0829 770835.5857 782884.6017 753247.8852 549219.3119 724814.5086 DG(34:2)>DG(16:0_18:2_0:0)_M+NH3_feature3 DG 16:0_18:2 148777.9634 168864.0309 205070.5380 125920.4682 117805.5151 221670.1488 309705.0007 315498.2625 206508.6474 218344.2739 266.8393 248.4725 251.7270 277.0698 266.2319 281.4600 160972.1960 165647.9519 162168.5757 164913.3509 153945.4475 160347.5982 157901.1203 169057.0159 228823.4683 232892.1216 185643.9568 210207.5096 119458.8638 329850.1130 150184.2078 186895.6542 122003.7718 142700.4780 206017.6213 87537.7331 368270.7070 109441.1486 145450.3665 59269.5874 207440.9432 112949.8086 112677.1977 130962.6637 130775.8513 128703.1228 144493.6168 162257.7091 113584.1348 148988.8382 107729.5751 144400.9853 90790.9890 225650.9243 116581.4824 181922.6077 338023.3415 164753.3212 205275.5535 181680.3491 136120.7832 114557.0377 119528.7225 136899.5239 173006.3027 106430.9302 84406.7180 110907.4959 DG(36:1)>DG(18:0_18:1_0:0)_M+NH3_feature2 DG 18:0_18:1 55652.9630 36773.7790 60292.0076 39564.3173 27789.2519 68617.4527 69794.9110 91114.6563 52972.2830 53585.7792 222.9845 255.6768 236.2723 239.7305 236.8076 282.4451 45567.5933 47203.3897 47619.4106 46040.3579 45713.7721 49690.0488 47459.5637 44627.0060 71567.9857 75741.8566 62674.6633 69369.2597 45174.7709 85869.1624 49284.0662 66749.7888 38090.2636 38071.2476 53844.5907 21127.2509 71974.9443 35736.7013 68405.4373 25519.5273 52729.4575 48132.7820 47705.7080 37774.5125 40865.4644 22131.5365 39556.9514 45876.1031 37815.5094 53821.7933 23202.1204 43022.5881 29377.2755 60469.1509 33698.0314 49045.2389 64186.2037 43599.7225 57055.6906 58898.0780 46828.0504 44707.6572 36520.1810 45123.0099 65803.6537 33048.7008 32259.6937 43149.6305 DG(36:2)>DG(18:1_18:1_0:0)_M+NH3_feature3 DG 18:1_18:1 106831.0905 114132.1560 158354.9680 79423.9385 60962.7928 167768.8121 243439.6086 244076.1973 130452.7104 150871.3197 329.7629 416.3191 414.0807 247.0684 421.7839 426.8340 115401.2793 123465.5706 121416.6985 114490.8796 123166.6296 113767.3864 117165.1804 122252.9258 141093.1918 137598.7515 128025.3011 146699.5305 114316.2152 288762.0363 130628.1574 139197.4702 102901.1989 98655.9802 129255.7325 60371.8891 231636.8360 83032.5334 155505.9341 31607.9124 180908.5894 94906.2830 95189.4193 95004.2504 88905.5981 84058.4708 105204.2563 136024.2965 78564.5055 118372.7000 63592.3007 114482.3495 58930.6450 162667.7020 43361.1326 135374.1717 220754.9724 129143.0569 160199.2466 175166.5942 110636.7964 81256.1501 79630.2094 112700.7352 153011.1060 99739.5911 66217.8597 74361.2774 DG(36:3)>DG(18:1_18:2_0:0)_M+NH3_feature3 DG 18:1_18:2 117648.4948 127636.7916 157324.2276 84438.4833 74625.5699 214036.7986 299951.9156 257238.3492 165959.5017 191439.7266 279.8914 262.7691 264.1834 271.4828 274.7120 276.2767 138834.4880 137667.1224 132412.7374 135728.7320 132843.3371 140037.0999 137464.0099 135901.0708 193562.9918 186363.7359 184748.2278 179171.8598 103442.7625 263986.9637 128928.4794 150352.1578 93039.7293 110282.6294 161796.9728 67802.8758 312695.3090 89976.0029 141395.8843 44560.0926 187239.4393 93103.5185 85295.9880 109028.0101 109081.9902 94998.2097 145618.2863 143228.7864 98020.1879 115545.9897 100721.0930 116858.6132 67948.8695 175162.7362 85987.0514 172356.9078 295119.2441 121432.8880 159838.4166 161133.3342 99534.3285 84837.4534 91072.4837 119395.4749 169923.8770 108008.3731 70285.4674 75574.7919 DG(36:4)>DG(16:0_20:4_0:0)_M+NH3_feature2 DG 16:0_20:4 40136.1765 40633.4285 44381.3642 34569.4199 29415.3033 87238.0979 91384.3020 182318.5197 58932.7793 37285.5556 280.6123 267.3131 338.5545 240.5631 262.3650 386.9600 46034.5550 48687.4574 46302.4990 45707.9259 49864.3968 52378.7966 47811.8441 43846.3904 83974.1418 73602.4764 63574.4336 53257.1716 39206.2050 64026.1738 42544.4169 59598.5209 37120.1478 36471.6294 41966.2226 26145.2333 41115.4515 24640.0333 87222.9204 20963.3420 38205.5095 38414.7411 45066.7130 36840.8202 43725.3683 39362.4361 31791.6527 50634.4683 38634.8655 63354.6144 28454.6629 51055.0011 25437.7383 62368.3723 37939.6012 35658.0695 38985.1310 52877.6755 45136.0623 41621.8211 32505.3773 32151.1291 36998.9107 42037.9446 78727.1410 27922.8314 48956.0437 49410.7949 DG(36:4)>DG18:2_18:2_0:0)_feature1 DG 18:2_18:2 145828.7708 161915.0980 189871.8816 104648.1317 105603.3767 250754.7742 352816.2283 297635.9858 157836.9731 240307.9834 668.6465 673.8499 671.2924 671.7429 653.5480 706.8227 169942.3695 173390.4236 146672.7246 165869.6988 150898.1165 172394.0114 172589.5303 161209.9016 363975.7080 346571.3972 234882.1477 250673.5786 125519.5908 301223.6794 147545.1527 168932.9635 118499.9448 140024.7801 201775.9584 91218.0432 447278.6983 109751.3610 154018.7398 55774.6013 199917.8583 110926.4856 102340.0998 132889.4081 130139.3715 134281.7489 213452.9318 154446.4927 122069.8095 117871.7424 152108.1446 137692.0042 94782.8288 210694.8997 108635.7359 224650.4687 355462.5392 138620.9322 148311.3766 186501.6685 102282.9903 106928.8155 104461.5258 127616.1934 175935.0320 110641.0798 96507.9836 88183.9439 DG(38:4)>DG(18:0_20:4_0:0)_M+NH3_feature6 DG 18:0_20:4 926641.7036 936156.0327 891037.8952 1199204.6330 916052.8833 1923053.5140 1747312.3300 2515614.2510 1221776.5730 963434.9167 967.7973 1612.0163 1603.0689 946.4371 1615.4992 1634.6243 1088014.3780 1171423.5500 1138985.0190 1152878.2560 1167963.2030 1074907.0230 1146167.6590 1135751.4080 1193486.1210 1231501.9600 874876.2396 960805.4318 836652.3666 1101883.3720 1006932.1580 1453606.7870 847146.5509 827021.7226 967844.1874 853951.8292 1080734.5290 804361.6403 1244072.1110 688227.2945 918629.5279 1051093.8450 1232426.9910 835916.1812 1096061.2290 961548.8591 942973.2937 977468.4046 1200492.9630 1554528.9420 926105.2302 1286727.1280 753045.2373 1899453.7460 1261793.7610 1057413.3130 1067009.1190 1463402.2970 1093503.5990 1059800.1900 647720.6453 1171768.6760 1311898.1290 1069642.5580 1943468.2790 1053489.7170 1213736.3830 1491051.1860 DG(38:5)>DG(18:1_20:4_0:0)_M+NH3_feature2 DG 18:1_20:4 47553.5102 59008.9650 54376.5287 41178.8945 34306.3040 111965.4006 108474.2671 150642.9964 87459.3340 58316.2986 340.2727 330.4705 433.6366 301.3784 339.7802 502.1899 64540.9759 64145.2768 60192.5285 62652.0552 65186.0391 65844.4714 65016.4338 61142.4246 71438.4570 65423.8377 58980.5407 52005.4918 58305.3690 67104.2071 54855.4790 62784.5415 45284.0876 58797.7685 69343.1706 42484.5357 63248.9756 43651.7554 95372.4249 27991.8545 50061.8126 44989.9906 42588.3719 59623.7773 60041.2767 54956.1400 46830.2051 79961.7940 66318.9073 71591.0441 39904.5704 70549.2581 34279.5263 96427.6464 60396.5714 61532.3711 69722.0657 84179.8313 53690.4279 62294.6803 49819.0773 48829.1073 52950.1765 66850.4257 78780.4028 48251.0735 48636.7385 67056.8408 DG(40:4)>DG(18:0_22:4_0:0)_M+NH3_feature3 DG 18:0_22:4 25035.6851 26776.4264 23576.4801 22845.5099 20178.5027 59681.0555 45328.6077 75106.4710 39893.6341 25960.5370 495.0975 755.0165 803.6875 458.6364 594.0012 882.8373 32348.8011 34256.0619 34847.2177 33237.1845 32999.1001 34657.3217 35203.3910 32045.0989 29133.1985 24048.0912 27282.6320 23503.1984 25535.8657 27633.7657 29818.2102 35007.4542 24737.5209 23058.6981 31098.5177 22749.9372 29921.5904 20803.9660 40419.2517 15909.1203 27073.0745 29561.6138 28385.1616 27877.2728 28148.2869 31291.9854 21360.5079 35433.4674 31484.7744 36856.2306 15995.2310 31176.4135 16821.3756 47222.4540 28453.9007 25656.5735 23447.3365 37403.5799 29374.3737 27546.8168 20370.6655 26751.6732 25827.7827 37003.0534 49352.5121 30039.5133 27440.6557 38350.1054 DG(40:6)>DG(18:0_22:6_0:0)_M+NH3_feature6 DG 18:0_22:6 35370.1751 39099.1577 40804.2121 34977.5924 34033.0283 62835.9173 54008.2623 71426.9293 46447.0456 31743.8983 281.2022 327.1079 421.6430 238.8828 286.9603 448.3907 48681.2047 50758.9407 46221.2052 52021.5411 50777.4035 52712.8353 49845.9644 47215.5109 35476.0619 30831.9296 32902.5188 26587.5596 41950.0046 38310.3827 43574.2963 55719.0135 40343.0541 31534.6786 32933.8862 31736.3343 41357.8020 27781.0745 74019.8399 29462.3632 32927.8866 40125.3847 34829.7430 33244.9559 42921.1530 28921.5779 33530.4583 44646.5628 58132.9895 59588.9534 31717.0940 56905.5001 31973.7171 69964.3427 41324.3624 31098.4021 34469.2056 49881.7199 37374.1599 38015.9492 32426.0513 47944.4311 42662.9074 41267.9228 53406.6102 33462.7791 30451.4319 46800.1511 DG(40:7)>DG(18:1_22:6_0:0)_M+NH3_feature3 DG 18:1_22:6 48052.5916 59359.5064 73310.7985 34435.0090 33934.8644 139001.4227 110989.2689 176706.9518 79227.3627 49948.7862 288.6480 283.0799 281.1633 297.6486 288.0360 300.7888 67003.3582 65602.5090 63255.5746 65266.2474 66141.4196 65752.3307 63267.2711 67343.4543 59458.8232 57453.2395 39737.6339 39571.8817 71878.3102 44819.9764 80929.9552 78690.1406 62451.7186 46431.5775 63311.9724 34480.6144 51748.3731 38860.3826 108520.6565 26867.7920 58321.9673 59448.2934 46647.1754 53025.2172 53823.2805 51278.2119 54708.8311 87251.3975 93542.2642 84625.8713 46030.8276 84689.4229 45195.7347 99686.1330 44596.8583 66655.5590 51531.3146 77664.7853 76810.5454 91996.3534 66065.2940 59204.3256 45455.1839 78370.6316 77008.4187 42563.0599 36355.7312 54023.5322 EA(15:0)_feature1 Pentadecanoyl-EA 844236.3531 531546.6045 609004.0743 358326.6250 195225.0973 593165.3678 548628.3325 784818.7400 158108.3338 471857.4079 1326.7600 1541.9633 1194.0471 872.0354 785.8312 1419.7749 687658.1066 683931.8227 655301.8236 657285.6264 662333.7426 677660.3845 669843.8222 686166.0351 1600.9496 932.7927 589.6060 954.5036 667497.4490 877357.8441 512942.3874 1045661.7270 664928.3744 644175.1859 662238.5060 629289.2179 704392.8058 560842.3576 468439.5295 416649.3502 666900.2199 757507.0530 748477.8479 771623.8017 614635.7647 853649.5406 985113.4689 448198.7932 624245.2689 750610.2124 134442.6538 1087734.7870 925991.7221 691878.8279 804341.0508 668735.9764 662061.2768 564536.3384 1176541.5470 461861.2913 648949.8953 691273.4935 623952.7778 1245606.2130 639697.6083 431134.0439 592038.4991 670529.5932 EA(17:0)_feature1 Margaroyl-EA 3550171.1900 2136629.3320 2548117.1320 1423411.4500 647138.4560 2420915.4250 1771810.0970 3120817.7270 551342.0491 2000099.6860 6338.1508 5578.1148 7611.5793 1971.9099 5852.2916 2395.5198 2735584.9310 2414253.4370 2733830.7170 2267481.8120 2707988.5540 2701724.2310 2268481.0810 2768908.4440 10897.9597 4883.6604 11905.3173 5236.2228 2822416.9640 3802324.6390 2190144.8360 3570529.6710 3079605.8680 2858456.9830 2878485.7470 2109461.1160 2916121.0620 1923656.3540 2165341.5080 1849595.5680 2887314.5690 3109590.7050 3040141.4960 2669778.3130 2998206.5530 3664360.5380 4289003.1360 1549117.9120 2610830.4820 2956675.1610 462974.4338 3519225.0660 3102412.3910 2385152.8370 3255173.1640 2470649.0830 2385508.6330 2281212.9950 4730652.3070 1682266.2260 2714913.3370 2466703.6610 2259332.3090 3922286.0420 2834036.1210 1863849.1620 2272081.4000 2170366.6650 EA(18:0)_feature1 Stearoyl-EA 177261979.4000 113570245.1000 132216415 82047755.4400 129090492.1000 124819934.2000 101037098.4000 141266964.4000 112293980.4000 112189380.3000 229787.1603 213736.3163 269979.7878 226836.3482 204248.6106 207549.2397 137581699.2000 137644477.8000 136501517.1000 134421685.4000 135766174 140860786.2000 134862253.9000 137419644.4000 294956.3285 441629.6954 361089.5294 340001.0585 132225971.7000 185010110.2000 109011390.6000 184246123.3000 150800531.3000 147991742.1000 144893550.1000 119608525.3000 133064101 117878385.6000 116061670.7000 99131535.0100 144116043.7000 141106872.7000 148459946.2000 149902746.5000 144881697.6000 166677412.9000 204684327.2000 96916530.7000 139363536.3000 138414589.6000 97741803.5000 172986653.7000 161573770.5000 141974274.4000 159121132.8000 150290284.6000 123746875.6000 118689836.1000 201479738.8000 114207532.4000 140990506.4000 142232296.2000 124975250.2000 189947967.1000 141859964.5000 102466328.6000 117859537.5000 120571088.7000 EA(22:0)_feature1 Behenoyl-EA 826501.3751 456003.7180 668619.0533 386369.2586 151151.1374 599415.5415 334595.2470 554236.1976 146076.3498 600830.1731 448.5902 406.2325 447.4190 463.8610 425.4900 505.0745 619611.3151 622251.5897 622527.2909 619565.1445 611987.4329 615588.5001 626567.6475 620757.5406 1683.4032 2259.9034 999.5603 1173.3048 548335.1199 1032406.6900 571475.3027 771870.4110 934594.8341 769431.1536 675599.0770 518207.5405 484609.4389 516317.8398 648182.4113 497692.9981 728827.5200 531499.3733 848251.7710 581705.4102 800145.5476 686205.9338 1271882.2080 440174.6700 780517.4579 602638.0554 119452.7531 456442.1814 725862.4710 568046.4791 590648.5632 707521.4634 629123.5512 504294.1470 658868.5040 578519.8448 638745.5577 781983.6528 657403.9772 792492.3318 916682.4581 529343.1544 504220.3132 531418.7514 Eucramide Dimer_feature1 113035.1429 80242.9769 138366.5769 140745.1997 90855.8320 206120.8192 142730.4745 138131.2949 82795.1139 106768.3511 124514.4149 183182.6094 152330.7866 92493.9213 169863.3356 160578.1476 243397.0304 222334.6221 205326.7740 217274.0441 216972.3873 228315.1710 208353.7445 242479.8634 133598.8296 134538.4582 2397065.3380 2407847.4510 104965.9464 205395.1798 90422.4137 148211.3871 113890.0749 80754.2652 97056.5069 89365.6221 171420.0844 107638.9317 139434.6194 115231.2027 113830.8916 122113.3824 147065.1579 113402.3477 103539.6568 114299.1375 88698.3522 84202.0309 78433.7221 82356.9885 78733.8615 89464.7469 99683.8860 94444.6993 74089.2171 103245.0157 89399.9382 96533.0425 115286.0292 121298.1903 98518.0568 82552.0336 114959.9648 95934.2183 99131.3524 187637.4024 180737.5082 95617.0016 GTInternalStandard_CE(18:1(9z_d7))_feature1 1264456.2670 1469456.7060 1456418.6020 1543156.7250 1732132.8050 1628566.2840 1320033.9790 1532142.7030 1704535.0440 1462847.6930 1764.1547 2061.2609 1896.1966 2188.9323 2275.3994 2366.1717 1439324.6060 1518620.6550 1459109.0860 1454313.5780 1671225.0210 1465715.9930 1441158.2200 1466064.5860 1791214.8370 1755841.2670 1597345.8400 2050418.5290 1810578.6670 1139577.2910 1651215.2010 1358800.4590 1881131.2280 1664140.0510 1437123.1700 1708277.7670 1289183.0570 1477775.5910 1688064.9040 1477187.0890 1581454.8720 1521591.6840 1353429.7760 1531904.5510 1654392.7490 1626424.7210 1625126.6680 1695763.0070 1331385.5000 1681368.3630 1778252.4940 1493503.3060 1796669.4760 1615605.8870 1450992.1580 1300111.3890 1260090.6720 1616613.6440 1308675.6000 1589026.3730 1465451.5250 1669541.1950 1171726.4860 1306923.0820 1423818.9930 1799097.0910 1599621.2210 1653628.5400 GTInternalStandard_cholesterol(d7)_M-H2O_feature1 Cholesterol 47312.0259 54081.4812 57948.1272 50833.4037 57159.6326 45348.2463 53577.0466 44519.0582 48154.2774 49642.9138 177.5178 169.6793 183.5729 149.9158 149.7633 169.8776 48073.2183 50790.5038 60898.0636 50374.5784 52760.9633 54873.5815 51883.8623 50449.6812 68969.3797 65010.4530 72798.5614 56485.6803 59134.8742 45001.6981 52958.7443 51223.6876 59917.1771 64153.8035 52041.2763 71026.7712 51249.6836 60556.6689 26743.4343 62139.3278 58833.5019 49505.7336 36720.8355 61330.0843 56426.3826 68390.2408 66172.2733 47412.4078 52773.7435 41429.4566 79323.5919 49155.7495 60034.6847 39618.8233 49825.5015 59370.9221 54821.9908 42588.5292 43836.7339 57173.0332 54858.4803 64508.2123 54030.2562 52470.7511 50293.8501 60632.8793 61471.6538 46689.2725 GTInternalStandard_DG(33:1(d7))>DG(15:0/18:1(d7)/0:0)_feature1 159697.9190 181385.8832 167493.9122 159788.0285 172938.4977 169928.2312 178930.5398 168005.5727 163461.2524 174353.9634 260.5687 255.1050 274.2189 235.0037 232.6027 268.0347 170819.4357 173141.5528 169427.1017 162629.1296 166465.2121 175943.3926 174865.5004 166195.0360 180135.9289 159419.9665 177761.4456 160013.8585 178769.0163 168806.4879 172578.7198 158330.3050 170963.3622 169694.2139 169408.2336 184414.6261 177270.5004 169108.5600 174172.0092 171087.6484 169915.9041 160446.1610 156076.7713 170725.1924 171530.5141 164848.4613 165096.4346 174690.8204 167974.5254 165359.7893 178773.8682 181538.3313 172875.5190 155896.1930 161617.5468 164624.0565 155168.2271 170848.2862 159685.1456 162387.4465 175635.5011 167814.3592 161199.4594 169456.3657 172258.2561 177469.1413 159488.5365 165035.6175 GTInternalStandard_PC(18:1(d7))>PC(18:1(9z_d7)/0:0)_and_PC(18:1(d7))>PC(0:0/18:1(9z_d7)) M+ H2CO2_feature1 1500531.4490 1600328.3000 1516775.8480 1495378.4440 1592566.4800 1547773.1200 1611543.5390 1482551.6800 1665233.3520 1543364.9250 357.6054 1239.6507 1229.7762 328.1854 1816.7971 1184.1545 1600373.3780 1598566.9210 1533155.6970 1554428.3280 1586338.0290 1604374.6910 1573084.9840 1580931.3360 1647956.4510 1545987.0630 1695676.4330 1575037.1830 1546907.7300 1493148.3370 1567150.2710 1496458.8280 1558911.6430 1581976.3300 1543841.3320 1603211.8980 1517136.5110 1493612.6800 1586630.4160 1557928.5930 1523928.6550 1504866.3030 1588328.9560 1525662.3000 1576222.2940 1571489.0260 1533658.0440 1597814.3980 1556441.7150 1623941.3020 1606129.4200 1565827.0990 1554768.3040 1546992.6110 1543615.5530 1540788.5540 1561379.0510 1601633.7690 1471690.1970 1569213.7900 1513923.6740 1579687.8200 1530456.8780 1480498.6430 1495583.8050 1578527.1690 1551661.9920 1628865.7020 GTInternalStandard_PC(33:1(d7))>PC(15:0/18:1(9z_d7))_feature1 39459733.1900 41477677.6200 39903474.1100 39111146.9500 36143633.1900 37288463.7000 40111433.2500 40371680.7400 40274073.1200 40553848.0900 1070.0460 1051.8741 1553.0501 1038.5697 1141.1468 1562.8070 38433304.0300 39436168.8900 37737696.6100 36441833.7000 36458134.8700 38999320.8400 37028439.1200 39485162.7800 32897424.4000 32514810.9100 34012341.2400 35479045.1600 40589757.7000 39253399.3200 41969452.7300 38596329.2700 36771499.9100 35998854.2200 39051492.7300 38967602.0800 40160104.1000 34438264.1900 40138371.5900 37475754.7600 36478074.0200 35918174.2200 39989080.4800 37731312.7400 41737990.4600 39588277.6200 38467089.4800 40591834.6400 38792143.4600 39934457.0900 33421070.0400 38319192.5800 38982880.7800 37122819.2400 37627322.8600 36311655.9700 37943635.7000 36485067.6500 36250076.7500 39613138.7600 36899664.3100 36374905.9700 37255632.5200 39294357.8800 40793361.2200 37756584.5900 36314437.7300 42585563.6500 GTInternalStandard_PE(18:1(d7))>PE(18:1(9z_d7)/0:0)_and_PE(18:1(d7))>PE(0:0/18:1(9z_d7))_feature1 105921.4211 114697.3266 106089.2325 109072.8731 112096.5997 112322.2493 109450.3964 111361.0421 116007.0274 117905.9126 539.8233 627.4949 632.4663 328.7337 587.9754 614.4505 110769.9737 103744.7782 110849.9239 109381.4067 112118.7239 109019.9912 108332.9834 107788.0828 122064.4629 119442.2526 125932.5158 117275.7177 117344.4768 108402.9839 114344.0404 113292.7259 122676.3579 114439.2747 110062.8516 120078.4736 107864.9418 108978.4621 116544.2426 113750.8365 110519.3908 104852.7688 112684.3960 106487.7323 117457.1383 120504.7159 114511.6879 111414.1109 108137.7847 120290.3679 115756.9306 110624.6667 114171.8242 109260.7700 105594.5737 97917.1312 100524.3863 115533.9866 103028.1521 112657.8918 107706.1600 113129.7124 101471.2451 102642.0581 110629.2158 117737.0884 106255.1762 117938.7697 GTInternalStandard_PE(33:1(d7))>PE(15:0/18:1(9z_d7))_feature1 169230.1000 187037.7350 177374.8462 168107.2358 173249.1264 172924.0542 170146.3831 181161.0636 182208.5056 159733.2027 542.0478 521.0341 515.0705 487.5162 509.0982 521.8152 174939.4851 176260.2868 172502.4725 171497.9503 169732.6822 177956.9792 177340.3258 172000.1926 156978.7080 154094.6627 168784.0184 155619.2636 180584.5242 183833.0529 182680.9918 168602.5419 176080.4256 161636.3226 172476.9050 160386.7883 168130.5529 169494.6318 215107.1718 163929.2141 162494.0844 179453.5783 172424.7786 166045.1090 180021.0305 172729.7738 168206.2117 172520.4860 179887.5284 189039.6615 150127.2865 189999.6229 158876.7978 175797.5089 167685.4115 168937.0127 165975.4756 177576.1422 180792.6021 170192.1202 183035.9727 168197.1303 176184.9052 178115.4164 173204.7546 175268.9623 159932.5568 184825.5902 GTInternalStandard_PG(33:1(d7))>PG(15:0/18:1(9z_d7))_feature1 485258.4887 503687.5510 512710.0578 480291.2759 485520.2620 487986.5179 523469.4180 452024.9906 482974.1817 485389.1578 418.1209 379.6889 389.4726 410.2952 376.9231 402.1764 505700.2227 486694.1768 499331.7783 468168.9133 485095.3966 502009.2980 486222.2962 500657.1174 477184.9698 493982.3375 484042.2124 479922.8072 505110.4383 482043.3368 487947.0255 494791.9834 517227.8476 496647.2613 483767.6237 497937.7894 500791.3368 468004.2723 447770.4115 474559.2786 461914.4208 466565.8771 453485.4680 505363.9268 467027.6144 490254.2289 540735.3232 499580.4962 466401.4899 463480.2585 449925.7028 490148.0214 500300.0994 450204.7165 480162.4311 449359.4817 462484.4193 330290.1127 466880.3636 467476.2884 472910.1707 485276.3764 483435.7536 471167.6592 479767.0616 524908.7233 465168.9696 473048.6740 GTInternalStandard_PI(33:1(d7))>PI(15:0/18:1(9z_d7))_feature1 106181.8402 124224.3891 122773.4337 93411.8957 107178.5144 127120.3609 105456.9762 155441.2347 109594.6864 129223.8088 228.8542 276.6896 282.2318 232.2830 277.2774 329.2135 113438.0810 101700.6621 110682.6385 177132.7015 97917.0256 120769.1021 96042.8516 124186.5021 96582.4440 101528.5039 87907.6714 94815.4891 98932.5044 166508.4744 122565.6054 134861.1055 105633.4379 110474.8411 112700.4828 100309.8748 122044.5095 100614.8871 116882.5292 115264.4651 130829.9155 164170.8734 134034.8898 122149.4398 115958.3773 115796.5391 107648.3529 104498.9345 111533.4644 102370.8756 38371.9981 117952.0984 104203.7462 132590.2955 96675.9448 80407.1459 95372.7018 120636.0538 113359 103882.6846 111326.2146 134190.5093 111160.1670 142129.6061 133757.4991 122917.3593 119574.0531 127101.3412 GTInternalStandard_PS(33:1(d7))>PS(15:0/18:1(9z_d7))_feature1 69739.1991 105131.7251 70958.5195 83348.9601 50725.2986 71310.4610 64089.3217 79404.0248 80700.3176 64380.8782 410.8995 384.0386 389.1962 430.3030 407.8098 419.1326 69480.6070 68200.5140 64939.2960 69581.7945 68216.1157 75273.3844 65172.2464 67260.3860 50388.4505 54115.1404 55054.2598 50573.5036 75079.5515 73587.5408 63645.8829 79706.8320 75977.5871 76716.1924 74583.7403 60700.2054 64492.5916 67106.1995 95447.9983 63039.5075 58005.8092 61169.6517 73089.9552 79961.1379 80942.5894 70351.6574 62364.0279 77130.1451 65443.9609 65320.9790 23312.7747 78910.1296 67962.1721 66397.4707 54639.2742 49887.1728 46137.6376 43095.5976 75624.2742 62877.7657 78773.9314 86596.1807 60940.4225 68686.2415 81953.4047 82133.7727 65005.8949 82217.0849 GTInternalStandard_SM(d36:2(d9))>SM(d18:1/18:1(9z_d9))_feature1 2002288.9990 1971032.8650 2032793.1920 2043685.2240 2043743.6980 1977169.7870 2103480.2570 1890750.0690 1833071.4080 2025737.5980 223.1463 202.5470 207.6754 212.8988 192.2333 205.0825 2060701.6220 2032346.2080 1997330.0690 2071105.7040 2036904.6630 1984948.2400 2097861.8650 2021871.6340 1986347.5230 2033240.5350 1916636.4650 1965117.4890 1962363.7750 1837647.3280 2114098.8890 2025456.0460 2045492.4470 2130025.6460 2052300.4230 2007719.4250 1928112.1530 2052751.4690 2012833.8110 2008770.7810 1922565.1260 1892180.5530 1782919.1420 2179789.6860 2074247.5880 2210224.4250 2047764.5560 2001656.0500 2224199.0740 2053544.9840 2115592.6310 2144222.8530 2109489.8300 1881942.2620 2006933.4970 1918642.9030 2027999.2930 1887729.5660 1994782.4430 2019629.1960 2020084.9130 2046963.3160 1933581.4700 1966697.2560 1976310.3460 1976043.8700 2004363.2400 2047181.0920 GTInternalStandard_TG(48:1(d7))>TG(15:0/18:1(9z_d7)/15:0)_M+NH3_feature1 5772386.7160 5357373.8020 5252543.8000 5384806.7990 5297976.1170 5190228.0230 4785745.6930 4662626.6140 5428042.3480 4755172.5910 319.0324 330.4307 357.2272 969.5690 314.4632 599.0405 5321455.7940 4990343.2290 5557229.2050 5159520.0170 5206000.7180 5366834.0370 4996641.6140 5380404.5430 5132404.7520 5344086.2910 5215339.2750 4649603.0100 5239279.1220 3792767.8330 5585585.1560 5433251.8740 6237411.9040 5609152.6590 5369719.0750 5393040.4570 4244943.0720 5521421.8020 5285044.3890 4906886.3290 4721222.7490 5310909.5960 5691895.2590 5344066.3820 5438472.2740 5345169.3170 5651890.6430 5682424.2340 5350541.9810 5622625.1600 6051823.0340 5726802.6540 5400212.2680 4990084.8190 5529397.6100 5513935.3890 4203184.1820 5669570.5160 4968853.4920 5575945.9450 5647756.2240 5539353.4850 5309073.2830 5540296.2270 5778916.7230 5314254.7000 5218340.2400 4987946.7890 HexCer(d41:1-OH)>HexCer(d18:1/23:0-OH)_feature2 HexCer 18:1;O2/23:0;O 80473.8958 91185.0645 77841.8635 132479.6735 51437.9896 62052.8796 88400.0549 69628.0708 76630.7422 34942.6407 793.9499 1732.1151 1960.1909 660.4882 1648.6210 1604.2089 87338.1919 92676.6833 92142.2834 91314.8862 89080.1481 95773.7440 94153.2314 85990.5076 47222.6375 42597.9932 111088.6957 102084.0927 51399.8235 120249.8565 51990.2879 163062.0614 146309.4404 48644.9195 36970.0051 61263.7944 37550.9006 38086.7226 604099.3685 114985.8180 80321.1103 101083.6457 225487.2001 75776.2509 101505.5832 32661.1110 55681.4746 37596.6084 92105.2582 216258.0229 88598.0029 135621.5779 94898.7601 53879.7588 78710.2233 116085.2652 31311.5015 87936.8791 43601.7445 79481.4429 85809.1094 41528.6847 74553.8939 23767.4497 97253.0641 22538.0015 41420.3440 39620.6362 HexCer(d42:1)>HexCer(d18:1/24:0)_feature2 HexCer 18:1;O2/24:0 209152.3461 273064.0306 156192.1165 620132.6102 141486.9810 196037.2076 336894.4225 214025.6971 216995.7618 55936.7761 1085.5399 1073.9082 1578.3202 882.6907 1060.9274 1646.2126 336450.7296 345658.2710 352905.6194 287442.7156 345246.6784 348167.4477 339223.6583 334011.8611 291077.7876 286317.2947 274304.7412 245908.3815 88433.2719 1000059.6900 61134.6950 748338.1623 544662.7488 202008.7801 125148.0469 189515.7656 123273.9440 228881.9315 3639399.3430 693219.7639 125520.0405 161546.7967 848332.2980 356272.5252 548951.2604 89885.7680 229028.6968 135121.0678 194870.5504 681231.0031 162079.8099 750484.4599 289363.5213 169411.8790 379873.7346 676474.0956 46171.9277 303699.2216 84592.0895 148983.6425 200006.3400 97738.3695 155878.0877 79556.5106 390613.1793 45457.9697 155275.6728 112790.8662 HexCer(d42:1-OH)>HexCer(d18:1/24:0-OH)_feature3 HexCer 18:1;O2/24:0;O 536978.5845 575717.7378 388586.5200 1076847.2410 269449.8381 375488.9336 637146.1147 419095.1863 457889.8527 136350.4500 1272.6488 1248.4593 1357.3804 1188.1545 1195.4034 1420.7027 600489.7740 600662.7970 627626.7644 582547.2878 614991.5714 620558.0526 604009.9369 597579.0349 351423.1841 378466.9895 583713.7593 559031.7998 241144.4329 1428476.4160 197992.4893 1319307.1840 1053969.7120 341871.3114 224090.7207 359859.5457 221075.7999 317498.7105 5702095.9630 972153.6036 383979.0978 494637.7393 1592717.5490 566955.8044 830364.6754 166837.7503 388862.3495 211795.3293 535973.1203 1465021.4420 425018.7178 1128191.0730 636990.3765 330075.5184 589373.6518 1008485.9390 127189.3194 518388.0273 212284.6186 412410.3463 506652.2316 244417.1262 376595.4196 137438.1517 759970.0282 103386.4612 255930.3492 223473.1324 HexCer(d42:2-OH)>HexCer(d18:1/24:1-OH) HexCer 18:1;O2/24:1;O 35730.3516 49624.1102 40807.5549 66536.5301 28816.9248 29525.3698 43981.0206 32356.2771 32723.0929 13841.0363 713.9991 729.9096 1074.0168 513.9799 583.4973 985.5316 51440.4017 43783.3026 38576.1788 52603.1103 46327.5378 40050.9229 47919.6968 47492.0488 26358.4745 20870.7935 51613.4119 41605.5587 20952.9374 86159.6247 18933.6331 68298.9442 44882.6719 22916.8710 11037.1944 37471.5836 14613.2275 24229.1985 326807.4009 69156.5479 28988.0813 37439.5255 138682.6030 33332.1571 60533.4840 14868.5557 30032.0448 13585.9064 40786.3287 136982.2789 54679.5902 67026.3289 33647.5509 23924.1891 33991.3730 48998.3531 14707.4518 40219.3500 18307.8711 33209.6906 32628.0399 19849.4392 28385.7490 9327.5650 51349.3429 10085.3913 20846.9431 15501.1913 HexCer(d42:2-OH)>HexCer(d18:1/24:1-OH)_feature3 HexCer 18:1;O2/24:1;O 80778.3903 76121.7063 51280.2736 192326.5886 36132.1966 45704.8371 71272.3900 49754.5183 54517.8989 14941.4551 726.4612 1250.0660 1259.1583 695.9705 1189.1243 1151.7390 87836.8742 87224.1099 87652.0788 76529.6264 94611.8186 75977.3220 89230.4212 88447.7047 49697.5566 44702.2211 68105.8627 69834.0698 26821.8461 264429.5808 22648.7809 185775.2886 128413.4200 39897.0351 21278.2204 39483.0944 22132.6441 34520.6652 908827.9585 159187.9213 45590.1471 65081.7665 396923.6193 65668.1667 132023.9348 18111.7083 53612.2928 23172.0130 57903.9495 335523.6592 70887.0762 169127.9554 79141.3370 39045.1090 74020.4605 133102.8175 14822.9636 53294.6265 24427.4487 52294.5373 58288.3835 30570.8314 52526.7289 14724.9194 79098.0988 10041.8314 30570.6980 21273.7698 HexCer(d43:1-OH)>HexCer(d18:1/25:0-OH)_feature1 HexCer 18:1;O2/25:0;O 73930.1463 99056.0638 113182.4083 140042.4500 96643.8427 188402.8940 126071.3642 141894.7708 95596.5633 88782.5433 170.3585 176.0100 248.8274 343.7680 417.5097 625.3452 127947.5850 116424.2217 118271.0508 107225.0322 100454.8320 110395.7309 113204.2849 146235.0116 88299.3532 120515.7817 68238.1561 88768.3960 127764.7470 101946.0734 116219.4004 218511.2070 95050.3427 92834.5064 122122.5750 74586.8908 98527.9106 90616.8263 132425.9765 80355.3312 92074.1885 133826.6275 172173.5729 100191.5227 114754.9213 72130.5566 89761.2298 90333.0070 126742.7701 98043.8984 35094.9228 119542.8564 125667.4508 145440.0660 117789.0776 68374.2422 86700.7506 102337.2656 135197.1198 122764.5388 87113.8201 162628.4046 194327.0459 117567.2579 182134.2980 129118.3591 147163.8967 317200.7923 LPC(16:0)>LPC(16:0/0:0)_feature2 LPC 16:0/0:0 2734732.3770 2823028.9190 2772603.4210 2689265.6910 2555963.4580 3969837.3260 4077626.2660 4717213.1210 4820542.5610 2794745.2860 476.4817 3147.3890 3699.3659 3669.6493 4327.8540 4994.5878 3447800.3630 3421597.7230 3239223.2500 3329056.7820 3326255.3650 3428503.9660 3382445.9630 3385821.0780 2203108.2080 2056637.7790 2540919.1410 2488985.0810 2754816.8870 2782964.2670 2699053.7050 3177627.8550 2845650.7950 2919066.8380 3334388.0170 2600147.2660 3284178.8500 2701028.4150 4023420.7790 1965740.3040 2568548.4680 2944505.2120 3231654.4110 2934288.2350 3367907.6920 2870173.4190 2583132.1680 4115202.6970 3346712.4770 4091904.8540 1917578.4540 3915987.0830 2521470.0280 4834706.4140 4176639.9120 2877776.4620 3039176.5650 4681044.1060 3255352.7460 2956998.0480 3231642.9980 2879712.5040 2975435.2380 3777153.6470 4053774.6050 3337632.1610 3645719.7700 4728122.1580 LPC(17:0/0:0)_and_LPC(0:0/17:0)_feature1and2 LPC 17:0 54891.3415 50665.1026 50264.9563 51892.0368 54484.7619 77505.0881 79923.7799 99669.4741 103109.8973 60925.9668 163.6951 941.8129 934.7027 165.4561 852.7134 875.8446 68914.7085 67474.1893 66126.2121 68095.1075 69403.6052 69858.0607 66672.8382 67633.1863 40495.4974 54162.1411 61010.5101 59376.3210 54845.7357 50955.1339 61725.8707 76856.9811 61167.0651 57751.4517 74154.6784 56107.8936 69685.2925 53407.9786 87029.6016 43380.8507 57608.9352 67512.2715 68059.2898 62030.7267 77852.8386 56722.5055 59829.5326 89534.4674 68271.1909 85869.4802 38441.6539 76707 49380.1125 111288.2206 94709.5423 69412.2458 61623.9499 98600.3836 56811.3921 64588.0369 57751.7193 59939.9832 65122.9331 77515.0997 85346.8092 74374.9935 69117.5035 99602.2561 LPC(18:0)>LPC(18:0/0:0)_feature2 LPC 18:0/0:0 5504747.7630 5802494.1880 5716521.4350 5196544.3630 5515415.5030 5726079.9180 6069842.9020 6810878.3190 7353026.4970 4711228.8080 573.7174 647.3185 948.2221 2569.1194 819.2320 1231.5592 5830739.7710 6027567.3700 5889145.6800 5878980.7330 6285710.0780 5538499.6750 6173605.7250 5835123.7860 2911687.0600 2799731.2820 3762469.8070 2946668.8460 5572785.0110 5745728.0190 5791994.5410 7042889.0280 5464377.4210 4300418.8950 5680112.5050 5268253.4300 5121639.6600 4569224.1620 10164431.7600 4108633.5110 5794050.3160 7480784.7310 7038353.6090 5354413.5490 5135928.5480 4788427.4080 4306256.3890 7110774.5860 6814333.8640 8155812.5560 4128693.0710 7617186.5020 4878373.0140 6866314.3230 5934754.9970 4887611.5260 4394164.5870 7256068.9890 5865041.7820 7169806.8320 5214532.5040 6071225.4300 5754652.6950 5751789.3770 5704157.4480 5542458.3220 4744805.1050 7083710.6780 LPC(18:1/0:0)_feature2 LPC 18:1/0:0 256611.7530 270832.0140 289779.5704 350457.2285 275681.6321 348894.1199 380544.3626 403916.5766 419632.4864 250428.7424 359.8153 3989.9755 1628.8036 359.4400 2411.4012 1800.3891 344687.9809 356798.8294 359948.5432 343979.4031 360161.4694 343480.2103 352994.6589 352890.4347 262609.2770 250567.0132 315780.3159 300962.8874 255865.8880 400304.1444 257359.8620 363742.4372 279846.5481 255973.5293 267121.1110 250243.6477 287990.1121 283137.1725 759065.4340 287129.7147 224101.2211 301265.6011 414440.8741 256835.1010 377293.0452 282669.9214 268700.3862 383357.3721 364957.8407 519494.3831 221072.3102 432976.6353 269179.1995 395168.4230 424693.1643 353766.8059 298775.2497 438126.3886 325607.7512 250563.0441 377726.3443 320763.0021 329753.6057 350455.3135 492898.6656 349342.1203 423385.9531 536812.9820 LPC(18:2)>LPC(18:2/0:0)_and_LPC(0:0/18:2)_feature1and2 LPC 18:2 319107.6461 378366.8110 220504.7493 424689.1813 517771.2277 283143.8946 479261.0955 305687.1157 606918.0388 290932.2262 298.4244 6665.2661 6472.8047 299.7158 5500.5948 4949.7761 344177.2046 375043.5747 294421.9818 394019.6470 451021.4678 279187.4579 286859.8517 405037.7503 200150.4997 264148.1922 256129.9369 216164.1241 293398.5792 230978.7417 211344.1833 297328.1907 385606.7399 193773.7985 172739.7497 382319.3452 458088.8159 294171.2396 549836.9125 204521.3696 304122.5353 224547.9592 311571.5335 199343.4574 460311.7668 191747.0604 203043.8932 481128.6984 330654.9789 437005.6596 339183.6849 372734.9815 414834.8860 583225.0854 732587.3672 357278.8804 170478.0101 608623.2213 245315.4995 213035.3968 262568.5642 332719.3767 313750.6388 295987.7173 359623.7934 364517.9271 569944.5869 784430.0674 LPC(19:0)>LPC(0:0/19:0)_feature1 LPC 0:0/19:0 9136.1996 8822.2915 10240.1736 9484.2638 9190.0800 14493.5536 30466.3832 30648.4591 24921.9517 18004.0186 166.3535 185.7665 183.0441 159.6178 174.7833 185.5024 14835.5094 13821.3638 12083.5025 13015.5290 12557.5288 13016.2047 14647.7333 13705.6272 9872.3843 8976.5596 23426.9493 9906.3601 9064.9999 8353.5135 10303.6371 14777.5328 10786.2862 19265.5265 16087.2511 19560.7885 19423.7680 15159.7700 14456.2615 6335.6444 9802.0918 12182.2183 14419.5944 11226.8480 25443.3114 11912.6151 23348.1840 23847.2854 11784.1911 16542.0779 6657.6947 15489.4158 7615.9675 22533.2128 23487.3344 22097.6099 22233.7933 28025.3703 12199.3972 12954.4495 10587.6161 11254.6383 9520.7470 15959.0372 13770.3006 13612.2420 15697.4349 21826.7269 LPC(19:0)>LPC(19:0/0:0)_feature2 LPC 19:0/0:0 25081.4368 25159.0006 25177.8973 25398.8230 24414.3617 30350.2086 14523.1407 23260.5542 23985.7329 17129.2541 3952.2634 1829.6928 1816.9666 6747.2344 2092.5521 1740.6817 27310.0015 22371.0354 23232.1945 22639.8930 25190.4691 34420.6699 26078.8760 18966.1172 16809.7630 20632.3685 14113.8335 24597.0386 22724.1440 25713.2589 31554.6056 40321.8272 26206.7551 15740.9351 26456.7819 12732.3877 19693.7573 12765.4935 34041.9235 21787.5198 27846.7441 32958.2606 38041.3241 25689.6971 22999.9052 11697.4988 17338.8174 24067.3331 23246.2507 38735.8065 16178.2798 35730.1908 25373.3268 38642.5418 32068.3708 16534.0982 14173.9952 24498.1128 30943.0223 34315.0970 29539.2774 31661.4969 27899.7324 37641.0836 30200.5671 25861.7471 21419.9608 32108.7980 LPC(20:0)>LPC(20:0/0:0)_feature2 LPC 20:0/0:0 16988.0134 17967.0265 21336.7978 19705.5411 19921.5539 22352.3101 25593.4033 29740.5016 25281.2378 12949.5554 370.8431 1185.3618 1093.6246 423.1808 1137.5246 1091.3686 18161.9521 19960.8089 18339.6570 17694.2374 22903.2705 18594.9978 19146.2208 17981.5829 14876.8797 11127.4708 16202.3254 16899.6504 14396.2084 16365.3051 19099.9052 28321.5275 18310.8231 13513.3496 19196.1558 13808.4631 17569.5284 13855.1192 28912.9517 14053.7529 15285.6470 14981.8036 27082.2992 19155.4804 21350.3981 12258.6570 14990.5324 21780.8951 20896.5166 27719.6903 11747.3718 25046.3665 15530.4865 26987.9164 25206.8733 18899.6747 14683.4039 26167.4948 23657.9672 18379.2523 20308.5395 15924.3083 20376.9397 20416.8266 24251.8108 20567.8572 16174.9665 27295.1707 LPC(20:1/0:0)_and_LPC(0:0/20:1)_feature1and2 LPC 20:1 11574.8721 11792.7191 17475.2793 14412.8056 14743.7485 14841.7698 17727.0294 19924.8285 19421.2480 14903.4761 169.6490 170.1839 163.7342 155.6241 149.4345 155.5470 15777.0993 18384.9816 17013.9514 18168.9211 17816.5882 16198.0835 16978.5956 17346.2799 13224.0823 10711.6249 14583.9460 14069.2972 14523.6219 17130.7039 16783.3547 19748.2207 15169.6866 13510.7144 16010.2580 15714.7097 13701.0170 14760.6365 26561.6872 10807.0259 13405.5343 18749.9429 19364.0558 15595.0636 23120.6954 13602.3108 15617.7463 20144.6012 19603.0181 22834.4878 10670.7277 26690.2647 14693.7062 20367.7228 22810.1434 14540.4233 12051.8959 23550.0742 18526.5597 15831.9557 21409.0299 23357.4064 18242.4863 19299.4491 19428.9631 15687.0566 15873.3243 18817.1248 LPC(20:4)>LPC(20:4/0:0)_and_LPC(0:0/20:4)_feature1and2 LPC 20:4 252696.6548 208890.9629 204332.4169 192691.4302 299169.6125 305096.4358 432606.0440 520010.6372 547422.7178 360071.9339 358.2337 8086.4767 7408.5026 286.2137 4666.3354 4747.4275 273410.2578 228381.1666 287643.2850 323756.0713 294834.3404 334388.0878 225545.8146 272561.6705 264347.9394 186412.9218 294316.1873 150807.5602 244977.7461 184492.8248 265009.0246 287842.5852 269255.1964 220678.1656 257212.0109 366642.4593 343638.2764 275756.2742 383486.7850 165559.0760 275550.5884 296463.0091 253924.7018 290660.0404 481549.9046 316074.6669 263844.4904 500927.5692 385974.6514 495160.8415 227143.1307 351252.1561 194974.3782 451479.2187 376189.8104 227540.6643 198587.4838 565086.9361 166627.2612 189963.7185 168993.1350 237453.0701 232250.0606 324072.9255 310025.3765 397535.4878 238417.2125 366840.8304 LPC(22:6)>LPC(22:6/0:0)_and_LPC(0:0/22:6)_feature1and2 LPC 22:6 41518.1159 48402.5232 43050.9977 44450.7234 58573.0150 74691.8423 82165.1624 102040.6228 75339.1236 54816.4763 179.1589 2346.7761 2183.1614 152.2029 1689.6419 1679.4660 60527.1451 45458.0334 56666.2645 81970.9568 63459.6934 50927.5200 59631.0966 56438.1719 24427.7854 23731.1996 28586.7240 20883.7545 47500.9447 35778.4162 50355.1960 67713.0942 50815.0058 44070.5741 55944.0700 43231.4191 50535.6698 43446.9661 77448.1328 24742.5658 55154.0386 68443.5481 55691.0177 49832.3299 66417.8796 60220.7228 34076.5120 55682.6101 58767.4676 82192.8738 48069.0603 70204.9077 51719.2578 46520.9833 47736.6373 43450.4219 36064.7645 69563.5425 46280.6162 52003.1011 43045.8209 48025.8036 41368.0788 48961.8227 67104.5056 51461.9537 50531.8271 63545.1222 LPE(18:0)>LPE(18:0/0:0)_feature2 LPE 18:0/0:0 49541.7898 58661.3034 48005.0788 42882.3209 51408.3144 58883.0667 74515.4313 66533.5405 69977.7094 44610.0196 349.7080 366.2606 348.7624 302.9481 310.2295 323.5114 64656.3330 63961.0036 63737.7218 63768.2984 64640.3805 63728.6963 60901.5455 66494.6774 30936.5777 28060.5633 36936.7201 30205.9932 70297.6173 53798.5843 60658.9154 72597.6264 63247.0981 44117.1383 53453.6319 45684.4065 59434.1242 43371.3183 101697.1045 41238.4576 60706.0175 74373.4945 63253.8512 56518.8173 55551.6859 48957.4051 48217.3076 75608.1402 77781.8719 78387.8781 39428.0155 90436.3831 50927.1823 64752.5850 70614.9195 47337.2842 44785.8651 77569.0251 73069.3061 61223.4271 66461.1341 64738.7031 72719.3403 71647.7747 72626.9864 72735.8264 61401.6295 85071.4331 LPE(O-18:2)_feature1 LPE O-18:2 18582.5125 22966.2698 16275.6689 54309.0289 16235.1136 19752.8137 22458.4884 24185.8071 19119.3147 8382.6513 332.0695 1150.7775 1220.4550 302.0135 1110.4033 1165.0150 26574.3145 24817.7208 24843.0714 20694.7854 26157.7886 26968.3635 24907.3309 24591.0802 24784.8509 23057.6298 17964.2477 16690.7972 14208.4399 78948.3756 12688.1014 43691.2456 23299.4594 15130.6654 10726.4212 16333.2972 13615.3712 21165.1005 253992.0897 60059.8545 13173.8021 20956.5801 44718.0772 19880.3533 35063.2651 10119.3474 19590.7829 16142.3818 19604.0493 47496.2837 10835.4492 58500.5689 17191.1206 19737.5436 28874.7624 42422.8863 8744.0483 23761.3329 13255.7613 15560.3996 17091.1857 12119.7745 15439.6744 14550.4490 28681.8310 12566.2138 16556.6498 13186.5369 PC(30:0)_feature1 PC 30:0 2014241.4210 2148528.9580 2325252.9090 2296012.7030 2044211.8470 2459770.6200 2275371.7220 2988928.3180 2802425.6430 2145335.4080 239.7421 223.6554 226.7000 235.9318 219.7019 229.2459 2420460.5710 2254663.5380 2222685.0310 2338432.0190 2397573.3620 2324750.2930 2399910.5170 2256536.3730 1128729.3000 1151848.6010 1376889.5760 1354464.3130 2329246.7710 2342630.9020 1946004.7440 2480916.5150 2160567.6070 1924013.8950 2123947.9340 1836562.4780 2227094.8440 1954573.2600 4468753.5860 1651092.7100 1824060.9000 2282755.2740 2525821.4910 2339600.9040 2339199.6560 1766144.3370 1877736.7720 2580621.6340 2433882.0100 3272524.4600 1080602.7240 2688171.4160 2099365.5880 2964936.2770 2577916.5810 2217517.8680 2327229.3330 3052106.8420 2392130.0510 2182546.2340 2340256.6480 2235548.7270 2213297.6590 2096720.3020 2277481.6030 1823352.7730 1648544.4330 3033118.7920 PC(31:0)_feature1 PC 31:0 79635.7829 55681.2079 78150.7900 74568.5598 72811.2054 94139.6611 89967.2432 149682.1040 92828.1396 72296.6309 249.5198 233.6155 226.5181 266.5959 261.2017 249.1334 87451.9720 87034.5668 93596.0989 99812.7005 87162.7824 93087.2136 81272.5262 93559.7140 64672.6623 50167.9811 75228.8335 106416.7835 66670.4707 53486.8160 102662.4169 131269.4581 50834.9133 91613.4894 76086.8930 66131.1719 105293.6981 72284.7606 89975.7316 46724.7533 103204.9735 97550.2148 85486.5907 127337.7619 95678.3203 58532.4580 71464.9575 112295.2971 97195.6969 135200.3659 46499.8370 108911.0588 76898.2668 139014.5505 63052.9464 86866.6312 71776.5505 97652.7941 103727.7724 73583.0697 85981.4337 90593.3858 125073.7379 67581.0012 71105.7011 87810.9836 107205.0265 199459.0975 PC(31:0)_feature2 PC 31:0 1116617.5030 1208654.9200 1141642.1660 967380.1780 949759.7582 1783204.2010 1513715.0820 2118331.7590 1803153.5610 1208721.7320 261.3748 241.4658 353.9407 301.6264 228.1739 229.1464 1288954.4800 1385928.0480 1306637.6900 1315812.2180 1285349.3470 1349058.9800 1305699.6490 1335162.2930 724356.2144 712286.3843 850682.7265 821673.2228 1100777.6990 1206544.8570 1313064.1530 1806075.6560 1204047.5220 1119383.7400 1498336.3810 1105652.5310 1421057.8360 945957.6061 1812154.8820 796352.6131 1092546.4660 1215010.5900 1322336.5120 1421833.1460 1385368.1160 1112970.7650 1087274.6630 1596892.2860 1331084.0700 1648299.3940 497742.2998 1281984.0470 908479.7325 1890937.1480 1563525.5590 1241486.8780 1123712.9510 1747795.3120 1113552.1710 1295591.7870 1121663.8510 1076472.5620 1205094.6430 1448179.3300 1391146.6630 1069995.0320 994216.0373 1765914.0950 PC(31:1)_feature1 PC 31:1 39780.2802 49576.2417 54004.4447 29919.4935 36267.5828 56822.2863 57289.2362 65901.8391 71511.2374 37033.3198 482.7454 329.7398 1918.8281 345.4642 315.7522 310.4883 48345.2669 50023.4569 48313.5403 44900.1591 53359.6733 38099.0913 47686.4813 52980.7747 37622.8410 32859.0185 45895.3469 45731.7326 49051.0057 41795.8630 50484.7690 55045.2235 44200.2437 40362.9957 52483.9303 36540.7201 50688.4012 34466.8636 79570.2031 30779.3194 33844.5667 44856.2474 45497.1088 54395.5572 47050.1681 29957.3908 41034.5614 55327.3231 32889.2787 58218.3244 20061.4613 53836.5753 34296.7346 80809.9849 62491.6179 59841.0653 46186.7553 82843.2150 69203.3264 51725.6228 64448.3423 49008.7230 47845.9730 59628.3428 59697.7375 45442.7020 35596.5667 82247.7840 PC(31:1)_feature2 PC 31:1 34516.5728 33457.6156 34597.1626 32879.7890 30178.8276 51154.9664 30695.1236 54267.2341 38477.5007 27237.0902 217.2427 202.9841 206.0715 243.2239 226.9851 237.3622 33042.9337 38214.6863 34557.7224 35613.7793 39920.9606 43354.6785 33900.3310 31643.3678 20286.7566 25043.7933 24255.4197 21452.4986 38324.9752 34947.7997 42338.2438 46727.1879 38783.2441 28767.5578 36432.3274 25432.3011 32427.3361 22671.7600 42707.8248 32311.0178 36161.1402 39793.3497 38051.7076 29645.1845 27439.3734 18609.5853 29994.2120 29282.2786 44001.9464 48094.3843 14841.7336 38637.3929 28745.6899 39442.9777 35282.2889 28531.7581 34017.1020 45369.5008 48843.6172 42984.9450 32376.4811 44982.6709 41088.0101 50669.7025 40941.9124 28596.2364 34906.5741 63099.4720 PC(32:0)_feature2 PC 32:0 26940466.1600 29935234.0500 26574901.3400 26043852.9300 27292766.0400 35273727.8300 35333138.3100 39302741.4200 36743033.5600 28348206.8500 1349.2001 2982.6849 2995.1758 4036.9355 2710.2747 3550.5244 30348277.3700 30539005.7600 28728651.1400 30201575.9100 30956562.8700 30186969.9400 30720157.7400 29483082.9800 18221303.8600 18272940.7000 18977198.8600 18319658.5900 27081854.3300 30474174.7200 28767668.2900 32245739.9100 28471091.2600 27597925.7300 33181548.0800 26510262.3700 29768507.5900 26973611.5400 43089857.1000 21732787.1300 28146472.8600 29259429.0300 32121663.7300 31287147.1300 29600922.4400 30188885.3500 26015421.4800 35112276.2500 31441892.9100 35395155.5800 17588130.0700 30779792.3800 24959559.8000 36034279.4700 31127146.0500 28911135.3100 27846368.1700 37992874.7800 26283317.2000 31743052.6200 24682131.9600 24792544.0500 26550292.2700 28077447.5900 27413935.4700 24313601.8000 24056682.4600 30426535.7900 PC(32:1)_feature1 PC 32:1 6289321.6160 7075027.2550 7375056.6340 7330344.0550 5665031.2290 6719722.2530 6356735.5340 6717502.5130 7113218.6750 5183818.5460 284.0231 257.9771 264.6865 284.9523 261.8784 279.5341 5855753.8830 6432813.4950 6303488.5080 6241856.3620 6509708.9350 6241905.8270 6195620.9330 6054885.3510 3942613.8270 3159622.4900 5225754.1770 7147993.2300 6550304.1220 7686058.9430 6180039.4490 6479827.1940 6182942.7850 5397420.0010 4898335.9460 4844508.8730 5391516.0980 4195568.9710 13064845.4600 4597001.6530 4869080.4110 5241023.2460 6878484.1080 5485072.4360 7586829.8230 4552365.5940 4712367.1420 5902873.0440 5347392.0090 8501667.8360 2909500.1570 6865516.8880 5675505.7870 7000673.5020 7886723.2290 8056437.5240 7600121.4930 7110898.6090 7900521.7470 6402456.5550 6950770.1560 5850857.0230 4825832.7030 4763440.7490 5620697.8380 4727091.0350 4208867.3910 6030480.8140 PC(32:1)_feature2 PC 32:1 1908624.3230 2122680.2870 2383077.4940 1714769.3550 1878972.6080 2293238.3170 1720392.7340 2248208.2650 2234399.3500 1932242.8890 441.8580 412.8881 400.7916 406.2650 397.1245 396.9755 1925399.2630 1720940.1600 1563100.4520 1875991.3740 1753202.1200 1662068.6340 1792369.4810 1828533.0350 4012896.7030 1947687.5080 2089043.2970 6974106.6800 1914001.3420 1722143.4670 1895563.5230 2042018.4830 2358929.2620 1328399.0850 1656549.0130 1451350.0140 1809350.3860 3358392.7760 400975.2241 4595783.5740 1390724.9360 1835779.7050 1786630.8030 1622448.6790 301271.3212 1695037.1800 1549714.0230 1715739.7420 2812987.9210 2442943.8990 2303538.9730 2436303.3590 1565642.6430 1989214.2610 203699.6172 220439.9713 364091.6909 1874108.0680 2211426.9010 1854166.0600 1881866.3910 1788854.7290 1830762.3060 1513472.9230 5549715.8370 1345555.4130 1139181.0840 1996083.2770 PC(32:2)_feature1 PC 32:2 605888.8053 828267.3253 941623.8851 594096.0976 615537.1954 576905.0471 597897.3042 656316.0563 697067.6726 444498.2881 625.9569 1167.7235 1125.1973 492.4499 885.0486 953.8452 626146.1177 660566.8572 690354.8041 566240.2380 572956.9714 633238.5339 706705.1139 614132.2487 470647.1225 413421.4597 697532.3301 561014.4867 875518.9288 397750.9609 663168.5671 501641.9798 479825.8012 424425.6767 397152.0967 365416.4774 461955.8820 369287.3324 984053.4573 320550.1470 369504.1734 470639.3391 430298.5013 502936.8417 469262.6328 301959.4840 387759.4602 575584.6680 719560.1734 1048257.5430 361382.7558 988404.1575 468859.8884 832968.5107 724379.3957 508504.9064 460026.4503 814284.3508 1184055.4050 687218.2712 964274.1596 718236.1673 722262.2879 554597.4672 589935.3077 508464.9298 409295.8463 769626.0642 PC(32:2)_feature3 PC 32:2 30516.9539 27979.7090 29920.4525 15532.0501 19234.7757 33550.1402 24574.8403 36646.1964 32540.3148 25763.9626 236.2660 274.9962 290.1053 166.8792 193.5284 228.5666 23320.6345 26220.2818 33285.7858 20364.0755 16154.7345 21651.4127 25251.4547 28505.2240 18868.9667 12189.1043 17839.6022 14216.7058 20841.6681 21266.8886 25988.4741 24288.0024 24931.1278 18053.7618 21735.2010 21670.3068 30668.3505 15381.0073 33639.0053 19922.3028 22516.8094 25968.7028 27631.8704 21493.2767 32041.6435 17642.9837 16673.1248 21803.3518 33396.1924 28107.1679 13354.9404 24425.9858 15000.5999 33563.6066 29076.8172 22047.5824 20689.4349 34637.5937 20736.4005 22853.2664 18315.3339 22329.0373 21902.9883 31791.5216 26763.1384 26132.6541 18136.0638 39727.9860 PC(33:0)_feature3 PC 33:0 375726.2338 405134.1561 377332.4541 312394.8801 337287.3483 719033.7484 675909.9127 857096.1478 762519.7432 456502.8607 451.2183 601.5014 604.1241 422.1775 544.6199 543.8405 524907.5760 547574.2974 521619.3548 524534.7364 513454.3305 528278.4014 524868.7082 539202.5181 342514.7911 308411.0094 406243.4845 351551.1112 428262.4716 431078.9762 484990.6619 622695.2129 452066.0330 485890.8133 621114.6753 420693.6482 514069.6682 370995.8804 814186.5036 300502.8117 439261.4942 495179.1520 486145.9459 567290.9546 583950.0983 423560.6224 450097.4063 753612.9716 606120.5035 685383.4973 225084.3962 571179.1696 350257.3402 760128.4472 672560.1637 579652.4052 1082635.3140 776796.9799 455174.1877 505872.6873 438583.1282 447389.8656 496523.9879 677440.3238 642215.5964 493337.3929 425477.1254 768712.4746 PC(33:1)_feature1 PC 33:1 2738966.9970 2857101.2350 2834037.0700 2629481.4450 1659226.6650 3493170.8240 3208453.2790 3945442.4900 3665196.7070 2525335.4680 811.8643 773.0075 831.4076 759.4895 755.9090 862.8960 3008736.1960 3268855.3470 2256861.6030 3027471.3090 3133459.7950 2952741.2860 2895932.5080 2951879.9880 1821607.8880 1561555.9170 2162388.5650 2048103.3290 2626506.4350 2956899.0840 2915653.5290 3551974.7110 2805136.3560 2407495.0150 3173638.8010 2418252.8960 3180571.2350 2189864.5120 4361278.5810 2035022.4080 2487843.5220 2603859.7480 2212768.5020 3164680.9700 3066005.3300 1469066.4020 2326492.7000 3663768.0210 3109748.0660 2591126.0920 1299250.4920 3540139.1680 2173875.8740 4110260.5870 2611080.8510 3018789.2730 2621480.5340 3779848.2330 3165979.0220 2907460.6340 3002113.9890 2826436.0150 2946769.0300 3348612.1130 3180863.8080 2755162.2960 2508704.9860 4031387.9110 PC(34:0)_feature2 PC 34:0 49458.0800 39867.8644 72589.3377 63441.1623 45010.4478 91531.9297 104681.3095 114565.0632 114404.0832 73997.1491 282.3408 419.7912 417.1360 289.0607 441.3065 405.1089 96885.3479 101713.2132 109496.4239 93533.3144 103790.7239 98031.8421 102501.6448 100164.9946 35979.3438 38567.2029 60159.9705 49345.8941 90147.1835 86961.5873 89705.2961 104403.2206 57045.4697 65537.5342 102349.7671 60814.2158 99688.0403 63553.4943 110744.3537 38380.2116 77688.9869 72484.0063 53052.2012 66788.4237 128764.8190 67446.0508 89777.5304 161356.1535 103122.4928 103692.1716 23922.0836 100484.4065 55786.1794 110491.6757 130969.2348 96793.7203 69955.3534 154635.1278 96339.3834 84010.2823 122142.3205 135720.0093 141106.1577 174565.2767 142674.4693 106331.1092 101721.6734 189369.5312 PC(34:0)_feature4 PC 34:0 3394170.9480 3741208.3900 3332664.6620 3208784.7290 3366712.5570 5710264.7100 5407460.1790 7241589.2220 6869371.9780 4129847.5200 844.9782 761.0409 969.0286 713.6255 855.2833 1154.8130 4567795.0770 4627088.0250 4531012.4170 4496103.4980 4633085.7540 4731630.9650 4613390.2220 4478290.3340 2599044.9970 2498440.3710 3011773.4920 2852076.0890 3712621.2610 4163906.3690 3857970.2210 5141466.6220 3683945.4430 3586786.5010 5019885.7250 3600124.4790 4248301.8720 3517523.7990 7910463.5600 2580354.0210 3648536.7450 4202803.1430 4838705.4060 4312790.9150 4977675.5410 3601919.4650 3501826.3650 6328443.6030 4878493.2740 6558562.4160 2051860.0290 5446983.3360 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20222.3973 12660.3705 17011.8782 13583.4942 4243.3092 20779.1939 3303.7857 26131.2297 21200.2328 PE(O-38:5)_feature3 PE O-38:5 275972.1952 297375.6310 249893.8321 302845.3628 280725.1334 428527.8474 518788.9946 393595.5869 469120.1292 309667.2873 489.1026 470.9189 466.8345 478.6963 462.5039 480.3068 378548.6483 362733.9414 380409.6377 359216.7840 359509.3008 375138.7676 369177.3848 375251.4437 152473.8570 160442.8139 250349.5237 304431.7717 318758.2550 277855.0720 372558.8525 356268.9812 248373.6054 370466.4365 399002.1669 281604.6192 377931.3364 310191.6893 587052.2960 225092.1115 323161.5522 394471.5798 346718.0304 358735.0597 346277.2709 414123.9727 339907.7831 406080.7875 429940.4435 451385.8808 358702.8448 396543.7012 288397.6071 459088.7612 396407.0545 468251.1456 381255.4046 543195.3507 338467.0372 313908.2672 295511.4046 264042.0897 470300.5068 323714.4631 327534.5388 346087.2915 348800.6488 377931.4447 PE(O-38:5)>PE(O-16:1/22:4)_feature5 PE O-16:1/22:4 753910.5075 853371.7200 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551.1362 534.5679 607.4667 1956961.2670 1901657.3590 1851111.6710 1890172.6180 1963864.0410 1979962.9380 1897935.8420 1890684.9860 1441868.5450 1358819.7690 1779237.1990 1718361.4510 1772687.6000 2033750.3740 1933860.2680 2257526.4210 1518160.5120 1449632.9780 1937759.6330 1335415.8900 1604866.5480 1379696.4580 4713095.7390 1341260.0250 1751347.0820 2083495.7080 2521080.3890 1640639.6060 1980144.5340 1621794.3950 1520683.6440 2035216.8710 2071683.3210 3154295.7610 1398764.7360 2562537.9620 1393762.2640 2045378.3040 2071858.1770 1960482.2290 1265277.7950 2601855.7900 1613468.0810 1832879.0060 1446690.3670 1225182.1560 1977323.5290 1882719.0640 2045279.8260 1596417.3420 1688427.4970 2050718.9580 PE(O-38:6)>PE(O-18:2/20:4)_and_PE(O-16:1/22:5)_feature2 PE O-38:6 4888303.5770 6021165.5930 5343326.6670 5224774.6630 4820111.2390 7605809.9970 8252637.6150 8585067.6370 7952261.4830 6015531.3140 994.8188 2405.6490 2425.3285 996.4794 2548.8405 2524.3969 6682659.0780 6809660.4970 6298167.6010 6763105.9150 6833764.1600 6744234.7760 6774698.8360 6507679.9060 2904703.6190 3159640.7630 3950748.3390 4032249.5650 5834714.1320 6084653.7850 6040696.4080 6143277.4040 4964807.8520 5844649.6400 6513608.9640 4890798.3260 6507291.6820 5557297.5920 8800197.8140 3869375.5310 5422293.5320 6043348.8930 6177960.8750 6572532.6630 5807973.2810 5739686.7410 5277642.2140 8404032.1580 7153733.6820 8218519.6210 3772632.3570 7524899.6420 4878909.3020 10936403.1100 7977438.2260 7376620.9060 7311128.2840 10455878.9600 7092220.5130 5851411.8130 6841685.4940 5814333.2640 7121342.1490 7656890.9880 6560623.4660 6934873.9710 6605726.4990 8842862.1400 PE(O-38:6)>PE(O-18:2/20:4)_and_PE(O-16:1/22:5)_feature4 PE O-38:6 577528.7466 630723.6042 577259.3736 463671.3285 486625.2944 424687.9535 630797.9218 639615.4391 633675.3123 410619.5672 544.0624 501.8248 610.1617 539.8598 554.1626 755.0636 643812.3970 637559.1137 627627.3504 643670.3401 643849.0063 645079.0023 647163.0158 629250.0044 141818.0591 203331.1716 248047.7860 241380.8092 844443.5682 624146.5877 923044.4605 946423.3439 759253.9891 428778.8942 503961.4219 302041.7742 551290.8983 374742.3447 1121124.3420 645878.9036 881675.3880 1025836.1750 907218.2909 571169.4149 468989.3867 483743.2992 462229.0674 754308.8071 793448.9721 896072.7334 380190.5646 691823.6197 494934.4814 716187.2581 524744.6028 420147.1225 463648.1681 696584.8924 828087.7823 680550.9024 755794.6426 692238.4434 853366.3789 638338.7408 572783.6670 652420.9858 523080.7959 708374.1362 PE(O-38:7)>PE(O-16:1/22:6)_feature2 PE O-16:1/22:6 43288062.4200 50353851.5600 46316574.3500 45933708.7100 44939731.9200 47447445.8500 52524390.9700 51048858.3100 52778766.8900 41648542.6000 1432.1080 1309.3027 1475.6655 1416.0364 1417.9825 1577.7102 47072918.0300 48333739.7500 47617430.6500 46723106.5000 47469813.4100 47005399.6200 48921105.8000 46870827.8800 29273100 29474308.7800 31877973.7900 31031228.3000 49508717.6000 48735700.4700 49605788.3300 50130248.2900 44894578.9000 41030031.4400 45411415.2200 41470096.4800 44642895.6100 40502753.6000 57033512.5800 39631399 45835930.0100 48797384.7200 52108566.7200 43484424.4500 45714278.3800 40969319.2400 40208217.2900 53255172.0600 52854186.6100 58174724.4900 33188629.8400 52573044.5300 42123686.6000 57403683.5500 49870816.3300 46937286.5000 48350644.7400 58394715.3500 50144997.0800 49314418.8300 48378234.5600 44928592.9200 47131085.5600 48844581.4500 47012163.6900 42717166.4700 41694269.1400 52023817.7600 PE(O-40:5)>PE(O-18:1/22:4)_feature4 PE O-18:1/22:4 410658.0783 394544.9605 348263.9038 358638.1872 298121.4935 585923.6792 540393.9553 644316.4476 513700.4436 423518.4935 547.2134 821.6088 895.0922 488.2735 764.4875 818.9466 463793.4250 480112.9687 484902.2626 495769.1892 472173.4487 467153.0792 483021.3816 474546.5903 337855.9520 324550.1478 354168.2262 343734.1182 405341.3784 475358.4889 435957.9245 512910.0306 454156.6117 371206.0113 488792.0134 384120.3655 453630.9657 386045.9428 886493.9431 423092.5556 416300.7180 494661.5294 628446.1835 471041.1714 507101.9686 386057.6917 374729.0282 586813.1403 409189.1736 564771.5069 217194.1685 495889.2137 325368.7594 500040.8427 441415.5037 389994.7882 325340.2650 551278.1645 394224.1029 434670.7467 397927.4873 356514.1184 408277.3329 567538.6511 532607.9652 496200.2567 433293.7593 581315.2885 PE(O-40:5)>PE(O-18:1/22:4)_feature5 PE O-18:1/22:4 32255.9116 36403.0120 28635.7514 27340.5696 25455.8905 30589.5399 38406.6038 33139.9531 38699.6759 20863.7329 655.1274 1120.3533 1121.5811 445.8612 758.9015 732.2679 28713.1528 28681.3632 23702.8892 33242.4654 32638.7247 28924.4324 29500.7981 26786.8086 28985.5212 22475.2439 37154.2759 26990.1491 33034.0408 40905.2184 33373.6445 35736.4084 32370.9519 23987.6117 24178.3068 23908.2428 23057.6759 13998.4886 95708.8439 29000.3996 24179.3495 27884.2962 36027.4117 27949.0795 32206.2284 24550.7331 16544.6296 33425.0303 35903.6883 54481.6434 23023.1090 47711.4652 24813.7460 20806.1833 27156.9220 28194.1043 16552.1259 35804.0812 30774.0735 39363.8928 21217.5701 23734.0289 32013.2519 27098.6497 31736.7314 23018.3777 15835.0841 27981.0472 PE(O-40:6)>PE(O-18:1/22:5)_feature4 PE O-18:1/22:5 2480455.4510 3059602.2170 2815235.6690 2308089.2660 2602359.1150 5181918.7340 4595051.5870 6333394.1540 5380491.7130 3914662.0060 1262.5575 1218.4507 1475.4337 1085.0033 1173.6426 1651.1553 3694074.0360 3621316.1450 3462639.4690 3644674.3330 3834904.3050 3706334.6470 3684783.2580 3520115.7660 2387692.0650 2279008.8770 3155975.0670 2814271.0480 2925405.0970 2941192.4240 2843068.4010 2960699.7710 2633773.5810 3091312.7210 4324637.1240 2903478.6430 3543405.3220 2642055.4130 3798842.6670 1885203.3720 2505728.0220 2656981.4660 2754166.8330 3893106.2070 3628601.9570 2580480.8540 2744142.6600 4898846.8450 3128675.8570 3673923.1640 1363114.1350 3636717.9050 2272330.2920 5925266.2460 4302703.2510 4411924.4240 3612236.7020 5679079.9770 3301522.9450 2904874.2160 3109363.6230 2650694.6780 3067484.0310 5084064.4080 3886902.8090 3945104.3020 3100019.0150 5695649.1360 PE(O-40:6)>PE(O-18:1/22:5)_feature5 PE O-18:1/22:5 155538.0444 155112.0544 154420.6457 114350.0556 130109.1759 161702.0179 167159.3901 200274.5296 172574.2856 138171.9860 581.3749 547.9443 562.4919 559.6351 530.9154 528.4145 164312.7398 179686.1123 165894.8633 161139.6964 164866.0549 178422.8302 170390.7615 165588.0576 79480.1883 75645.7412 91522.4135 91845.1793 197638.5352 159606.6033 228752.3496 243700.5089 214868.2130 116195.2334 136948.4811 126869.0826 142289.0284 102371.1167 251036.4397 181612.7948 230170.3901 250192.0722 225348.5930 154688.7542 130699.5815 113788.6894 111821.1321 218535.6122 155778.8498 185278.1228 81881.8801 160968.2052 118100.3116 166099.1018 126384.5780 101487.3379 103980.2517 166240.6533 184781.4701 189630.4064 181418.3972 171381.4686 192358.5039 184502.0501 149974.1078 177324.5662 113088.1477 199796.7606 PE(O-40:7)>PE(O-18:1/22:6)_feature6 PE O-18:1/22:6 76552.3247 97156.7472 80715.9439 102266.0406 65237.5177 147312.3952 140958.9837 153387.6433 154452.8896 58434.7128 393.1098 581.2078 611.4847 349.0382 531.8942 586.8302 124392.1213 116290.5479 94985.1941 121505.7330 117107.8495 115611.7141 113819.7424 116622.3025 59570.8745 37696.5565 76312.4577 72124.1445 96727.1103 106596.2558 123816.8760 128519.8488 97552.6448 83060.9950 113194.4875 56948.7721 105451.3480 79985.6110 262921.2291 69617.0525 95036.6738 115858.1436 125505.9805 119585.8041 94685.7297 87179.6993 103799.3567 157850.3785 143887.5413 167696.6223 50010.0084 146727.6456 47527.3581 175203.1820 151573.4479 126363.1778 90081.1771 173713.0112 122349.7930 96750.5003 119272.5686 120590.7285 127409.9387 145255.3599 151931.0605 117534.3121 95031.5239 179170.0701 PE(O-40:7)>PE(O-18:1/22:6)_feature7 PE O-18:1/22:6 15337111.0500 18521299.4200 15999153.8600 13670243.7100 15093650.4100 22703058.9200 20417878.3300 26903136.0900 25033169.1000 16597807.2200 1055.9344 1046.6547 1029.0361 989.7580 1014.9234 1061.6447 17135881.3400 17605067.0800 17878289.4900 17430979.2800 17238526 17168791.1400 17445170.0600 17608597.0400 13085093.6700 12983411.9800 14909071.6100 15387236.2200 16911810.5000 15022442.9500 17458336.4800 17782303.1700 15997486.8000 13885907.3600 17754341.5500 13201493.0600 16606311.5200 12017598.1500 19514291.6900 11421340.5200 14903858.4200 17149567.7000 17303580.8200 15929578.4200 16757484.7800 11476944.7300 13185065.8200 22166341.9100 18088879.7800 21650527.9800 7250265.0260 19295841.0100 14726655.5000 21157348.8100 18571485.1100 17673994.1900 15562629.8400 23580064.7900 17599877.3300 19262729.9400 16164795.9700 16804654.1300 15873015.2300 20206136.7800 18201227.5400 16293253.7200 12482195.8000 23651159.4500 PE(O-40:7)>PE(O-18:2/22:5)_feature4 PE O-18:2/22:5 869854.5423 1077486.5950 1026329.8460 778452.5653 654699.4230 1208746.6760 1553474.2240 1496075.8690 1321315.0650 1083289.5730 848.4130 1695.6190 1755.7603 675.7992 1443.2701 1528.5945 1098946.2770 1112239.6600 1179751.0840 1122605.1220 1153549.7270 1004716.2110 1176103.4230 1126214.6380 477451.5998 611829.1770 794835.3151 576555.5161 880496.1159 878007.3353 979416.4800 921051.0457 874748.2929 1080745.4660 1197101.3900 908278.1816 1177877.0010 684245.8641 919014.9565 619528.1166 742335.0530 958584.9257 638505.7991 1088458.0750 1110102.6500 826979.6478 879072.4993 1275655.7160 928372.8021 952820.8664 477411.4429 1224011.4450 870203.4417 1130643.2400 1362867.7320 782568.3773 1033766.6140 1587290.2960 1097926.5600 847653.5673 1211616.1150 722759.9594 1117632.9630 1344969.2120 798351.1393 1263997.8120 840709.9893 1293665.0530 PE(O-40:8)>PE(O-18:2/22:6)_feature2 PE O-18:2/22:6 9439154.7040 10683415.1900 10352690.6000 9647901.0690 9830143.0730 10253439.1500 10576515.4400 11468538.1600 11141657.2700 8158181.8220 736.4256 649.7217 673.2431 691.5846 663.0107 676.2013 9279235.8170 9982615.7880 9769095.3950 9100766.8160 10116823.6400 9833466.8680 9878365.7800 9230786.5310 7177422.7110 6897765.0870 7549240.1440 7377383.1130 9401326.3170 9427801.6360 10186695.6500 10327741.9900 9227254.3160 7942885.5310 9049103.4560 7683228.8310 8997579.7850 8116265.9820 13841353.3600 8079351.7370 9259545.4280 9958682.6880 11315679.1300 8402641.2440 9686159.6940 7485159.8660 7899581.4880 10566474.7500 11143895.1300 13550006.8500 6072740.7280 11412777.3200 8560142.3020 11295978.1000 9893424.0940 9213649.5670 8209490.8370 11143128.4700 9739859.0430 10917489.3000 10135882.3700 9745084.9310 9931881.9880 9762605.7820 9330261.8410 7829995.1020 7648228.5450 10088804.4800 PI(38:3)>PI(18:0_20:3)_feature2 PI 18:0_20:3 247832.5793 451560.4682 286982.7911 368127.4477 307073.1120 362431.8861 300922.6049 403489.4241 378057.6930 253493.4936 900.7647 2295.2942 2318.1468 948.3168 2593.4802 2407.8370 277534.3991 294885.9037 279514.9728 286247.4072 246675.0492 278170.7393 275115.4330 298284.1543 61371.5514 82404.2753 117530.4986 112496.6577 288693.9922 383610.2581 336160.9394 454032.8318 273363.4835 163009.9845 243605.2096 153418.0004 291835.6078 196086.7084 366684.9602 181050.5836 273787.9605 283881.1146 313231.0600 247202.7006 217906.5512 251435.0893 195171.9757 286388.1967 287284.8252 380134.4595 49911.5272 360701.2424 232766.2214 376748.0485 234472.2722 196766.9561 185425.6327 320452.4647 372909.2025 345256.2489 383084.0434 308098.6381 319648.1250 367270.6325 260336.5948 261467.3780 242997.8342 383965.4285 PI(38:3)>PI(18:0_20:3)_feature4 PI 18:0_20:3 49585.0470 83343.8427 63295.8920 57912.7075 66065.6256 83695.3949 65420.7131 92142.2489 79783.6242 58429.7276 344.1361 310.7027 367.0662 382.5956 407.8772 544.0096 66047.4242 51704.1029 53855.6146 63130.6067 59986.1825 62519.4669 55113.1310 59648.2363 10240.7523 13247.1450 19971.8350 23555.1034 61291.5276 72215.6113 83816.6987 108372.7226 56612.4285 30165.7485 51154.1559 40195.9297 67142.6324 41017.9795 79837.2384 41413.8403 69500.5373 69581.1098 76781.9692 59255.0603 47935.0277 43650.0087 41688.3142 69203.4338 50014.6899 75135.2609 5298.3967 63374.4474 42009.5450 69114.4474 39940.0653 34815.8302 41166.5373 50199.3616 67667.2853 76466.2596 61430.4060 48958.0096 66433.1918 89282.0042 57287.5683 61014.8089 59721.9084 75745.9506 PI(38:4)>PI(18:0_20:4)_feature2 PI 18:0_20:4 6211464.0300 8812975.2880 6579797.9730 7307008.7450 6851340.1480 10154797.5500 7221599.0530 11717552.9600 9110300.9230 7684486.0840 1172.6895 1154.4893 1102.9156 1266.2737 1218.6733 1292.6620 7265434.8770 7659458.3390 7568610.5980 7128179.0090 7088519.1180 7506338.7170 7369211.7950 7525127.6230 2527449.8770 2559611.0810 3847742.4290 4376279.7910 7311347.5380 9293923.3380 8796693.9240 11740650.7400 6897108.2390 5039891.0470 7208098.9010 5186767.1090 9580761.0470 5074246.8440 7873828.1960 4791637.2780 7403969.8240 7188627.6450 8535221.5150 7001737.8980 6817023.9330 6218278.8770 5314789.8600 8745640.3190 6905809.6180 8553898.6150 1234294.2480 7772467.8880 5720020.4570 10148970.5200 7319268.3370 5102502.5040 5298589.4660 7894105.0650 7877680.6670 8138535.1300 7065517.2630 6860605.5660 7511753.7480 9612062.3750 7649582.8100 8012049.2920 6575927.3330 11254607.2800 PI(38:5)>PI(18:1_20:4)_feature1 PI 18:1_20:4 37274.5721 60073.4638 37807.0686 38908.4817 35623.2975 49193.7709 43455.0771 53242.8319 43181.6912 30619.5159 248.5621 234.7977 227.4685 248.8937 227.5534 222.8637 37352.7988 41208.3815 38740.2129 40554.6446 39627.9848 40451.6690 37015.7200 39936.6560 13446.6087 12388.1651 20727.8977 22352.4200 43882.8137 55681.6278 61311.5672 68921.3177 41718.9660 21829.5187 33366.5982 25995.2824 40775.0212 25224.0478 66976.4908 26071.0254 42316.6654 37485.7705 47213.4416 36244.3865 41101.1896 36208.8555 27654.0346 47215.4447 41937.4912 66245.3762 8752.8517 56364.1774 25692.8534 54666.0434 40110.3784 34564.3474 27479.3688 42057.6678 57948.3378 47151.2304 42180.3969 34522.3195 43078.8437 48545.1790 31655.2389 39023.9231 25223.8191 45009.6657 PI(40:5)>PI(18:0_22:5)_feature1 PI 18:0_22:5 386065.7215 481907.7756 414322.3749 495981.7224 317256.4088 763403.1003 485437.9956 897387.7230 655196.1185 612410.3978 771.0668 751.6729 779.9227 792.8541 796.7084 910.4994 447626.1942 522736.1060 484692.2852 509356.2977 408298.4985 412952.5570 500506.0728 511735.9920 115816.1516 136906.6708 220984.9590 262786.4930 347765.9043 612367.0398 508016.2019 658420.5075 442832.4603 399548.8042 577803.5454 345591.8561 593571.0407 326801.9071 530704.9816 247234.1758 407347.0519 371966.4472 430193.0824 585898.1040 481177.1502 506275.0918 396415.5161 687799.0189 484256.2454 603967.7715 78571.6013 482105.0853 297458.2957 930259.2114 577734.3694 455407.2028 480842.4011 659452.8463 452376.8528 470091.7069 424394.7279 472556.3847 460701.7100 631630.2797 500975.6843 568132.2704 471314.7954 727184.4465 PI(40:5)>PI(18:0_22:5)_M+NH3_feature2 PI 18:0_22:5 26411.3422 45369.6545 35292.2503 38413.5515 34694.0996 42357.9378 34812.4533 48121.6721 50878.3939 30605.1912 315.9269 804.1202 686.3339 308.8126 843.7249 782.5667 36062.2757 35492.3499 40406.5108 38066.8478 36750.2929 36923.9304 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1126038.2440 796405.9215 765990.3968 802794.4219 699513.3925 1040863.8340 1303195.5720 1375540.6430 1310818.0730 1436610.2370 1150927.3740 1002083.3450 1242439.5470 1561914.0820 974611.1822 833664.0897 1327888.9790 1075587.7520 1468381.4320 1150285.0900 1427205.5020 716480.5065 966761.0453 917331.1325 1345015.5150 1004537.4680 1312242.6690 1178139.7540 1128676.5560 1480350.3030 690257.0848 1211231.8860 95339.4700 1243228.3410 1005918.7790 1137149.0600 543999.8154 662855.0739 384043.4232 352034.0269 744316.4590 861539.8927 742375.5374 1083737.7360 691555.6265 1346588.4670 846689.5835 887310.4313 999709.4890 954790.8889 PS(40:4)_feature1 PS 40:4 283861.4224 375864.0715 272459.7061 301569.9565 183860.4289 508725.5273 405038.4276 620208.7867 526316.6215 265551.0050 618.5755 578.9004 691.1058 659.7653 671.3958 871.7868 357781.9693 358582.4827 369976.6026 367728.5605 365214.4797 362497.1262 346564.7028 370028.5053 243185.9267 263328.6056 263865.0791 191015.1609 423012.6988 258754.4262 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888967.4735 923600.8099 903410.5702 872569.2588 926823.3340 903369.6378 899249.7218 900148.3082 769959.5768 720178.5946 721632.3099 688157.6437 945561.7356 953644.9680 974239.7400 965664.8858 886318.1792 831946.2885 898633.9046 829096.8273 841162.9555 713028.4342 1103190.8030 699231.6937 870228.8658 849355.2772 1009501.8860 868025.6183 825552.5825 756843.1916 690076.2238 991955.3472 977538.9626 1100031.7790 550368.2311 1078859.0810 601228.8276 1157694.8680 917270.8135 808493.4832 878988.3117 1004857.1560 965674.0377 1019277.9420 892383.5445 895309.7826 876235.4780 884572.1530 774198.1756 771494.7690 678930.6708 943059.0089 SM(d37:1)_feature1 SM 37:1;O2 191358.0200 253020.4905 232906.2347 177488.3481 170037.0740 358468.3028 348530.4473 425380.1315 377702.4145 226326.6432 576.4699 853.0732 900.9325 605.4485 924.8779 1022.8838 280657.2781 306680.7000 277648.9306 292118.0218 305306.1657 301441.1873 284806.1343 285055.2612 159321.4821 742000.3998 200986.0302 203539.5975 208716.0298 258695.4044 280743.3987 336265.9384 201746.8085 230305.5728 299686.3096 182587.8595 265304.4771 172364.6886 338919.8614 143800.1452 241566.2570 261841.0344 260306.0622 301619.9950 273266.0215 183348.8231 235232.8287 402938.1783 314105.0972 4519307.7550 97118.1461 271026.8067 197887.8249 391386.6627 296264.8748 244756.2914 275789.1565 438870.5840 387212.3479 1778165.2110 297110.5457 326849.1747 254873.7673 373587.0609 287710.3953 281125.8564 232248.3671 482855.8020 SM(d38:1)_feature2 SM 38:1;O2 507690.0581 654339.3649 672782.7543 567741.5460 465343.2706 1132800.8190 1107362.5910 1199279.3680 1162858.9260 505526.9138 645.5470 645.4285 823.7885 596.9877 673.4233 995.8515 953671.7462 945599.9915 936718.0435 881244.1160 930417.2610 961913.2008 957561.9741 925466.0844 533967.4483 511610.2113 638278.8677 587548.0776 746613.3234 1028603.4220 617296.0134 914210.1725 760303.9397 499932.3565 861433.2689 445552.8891 545715.9808 616760.1220 2385083.9400 482933.4773 525178.6438 919126.6675 942394.5122 781102.8547 863513.3721 461404.8487 726767.2845 999642.9517 1018383.1550 1510058.1720 567813.7078 1329301.4030 697137.5896 976943.6386 1147672.2300 1087052.2190 453816.5411 1014700.5440 1219872.4470 847566.1918 768571.1040 705466.5649 989283.5227 858820.2651 1087453.9790 594504.9189 719114.5181 1082078.3480 SM(d38:2)_feature2 SM 38:2;O2 144066.6611 159420.1502 136287.7673 156320.6795 120862.3008 176550.3873 162607.3850 235539.7992 170911.4070 137209.1265 285.9049 258.8467 317.6423 279.5859 302.8649 420.4373 159391.4901 152234.7180 154891.5243 158104.4864 159379.2252 161246.3427 168710.2994 144613.3858 113028.5237 114006.8422 99859.4778 105391.7013 117428.8357 172623.1232 142290.1914 164150.5163 130010.4054 112608.8368 142699.9015 123566.1352 135800.1838 116560.1130 265334.1417 104919.1476 137531.7329 161120.0083 228130.3429 134204.8519 165940.0462 124068.2812 115413.3276 158254.1001 146090.3034 249811.7542 107341.2326 176344.8293 134123.3376 174623.8576 171230.1185 149474.3419 143203.8370 202635.8417 218739.6289 143043.4188 144687.5183 134029.6704 158543.1921 147679.6994 178721.5365 115289.0830 168386.1882 157393.6531 SM(d39:1)_feature2 SM 39:1;O2 30509.8068 38334.7417 31263.2054 30857.6534 28168.7946 41158.9001 43748.6500 46149.8330 40323.4109 31268.2565 627.7868 942.9165 1027.6101 572.3793 896.4051 960.5114 38444.9981 43022.3162 38937.6078 39907.6950 40573.9700 39043.6859 39255.2995 41119.1757 23914.9613 24552.5057 30770.2385 27179.0338 33698.2821 40090.7544 41553.1816 48726.5174 33545.8324 29744.2450 34496.3179 28471.2818 33218.7875 26790.6263 77207.3766 32325.8472 37316.7102 40091.3201 49375.8309 33506.3143 35901.1137 28405.5394 32771.8998 38344.3732 47484.1686 58803.4092 29659.3392 50263.2725 34888.5957 39087.9178 46049.3274 38550.3581 27711.6624 45420.3132 49426.0885 42310.0818 36163.4588 33900.7011 45559.1011 38617.0453 45652.5648 33868.8459 34220.5748 44380.9407 SM(d40:1)_feature2 SM 40:1;O2 1106878.7780 1291331.9830 965943.5777 1717222.9450 897463.4773 1373302.2970 1655693.5230 1539847.3510 1493958.7530 897323.1276 513.4665 854.3375 848.6811 464.2000 995.0521 799.8787 1472332.7290 1471352.7250 1484930.1110 1399055.2920 1459488.1440 1430985.3800 1451139.8460 1497447.2810 908197.4258 861122.0692 997566.0438 942150.9891 1036095.1400 2848732.3840 1031730.8550 2556593.1040 1496460.7310 1093958.9720 1132152.0920 946912.2607 994713.9702 1028032.2840 8951923.8220 1456896.7450 1106115.4320 1356210.9560 2915877.7720 1346889.9680 1688174.0640 947339.8602 1167319.5400 1337147.3490 1535530.0920 2549662.3610 1076315.4070 2769222.0520 1236981.5080 1440936.9460 1988016.3790 2276730.4590 871308.8429 2011303.3510 1601600.7410 1281836.3680 1147372.7530 1015941.8960 1346497.4240 1142636.3840 2010133.6160 962711.3881 1063946.6680 1308754.8430 SM(d40:2)_feature2 SM 40:2;O2 52873.7169 58043.9908 52437.8837 66783.9313 47179.2593 63956.6321 58176.8817 87014.4104 60425.0096 35488.9686 305.9636 293.2971 299.3397 327.0267 331.3336 333.6412 57090.6756 60751.1772 62138.8657 66201.8848 41499.4325 68910.2511 43413.9667 70308.9440 39986.1239 46395.0357 38785.5593 42113.0497 41144.9497 77966.2204 50257.5140 76452.9929 51546.4396 44243.9840 55327.3949 45663.9081 50687.7567 48086.7707 151912.9486 48895.9761 49286.5747 63249.6150 98613.7810 32309.2132 62714.9559 46205.0801 32078.2656 59492.7940 68245.7014 74017.3926 49941.4980 72326.1647 35060.4059 66464.4878 69200.1604 44873.4607 50131.3653 83418.5802 77296.4910 44668.3035 54036.7281 57000.8746 59691.1583 53615.1670 80512.6945 43288.5986 54748.3784 59456.6318 SM(d41:1)_feature1 SM 41:1;O2 499602.6883 672294.6660 541328.2826 509518.2795 504217.0467 643065.2702 686361.4006 691605.7729 750982.2368 475102.6220 555.6980 1213.6642 1374.9736 494.2216 1234.6217 1202.3454 676312.6182 676533.6146 701488.8486 697719.0164 667068.9698 689167.4423 721471.9201 656702.3889 371098.4036 311180.9876 462349.3146 434952.2751 600722.6476 623051.9727 685336.9903 825783.0310 568884.8631 466580.9198 560791.5647 448344.6763 535290.2660 427789.5773 1489255.5190 529004.2485 669905.8305 731703.9604 785955.3543 557090.6728 575389.4221 454772.1038 516520.9526 692383.8968 856898.5081 1055680.7980 549456.5016 899771.6580 583555.0191 644551.4604 720141.7849 664278.4680 469391.2726 822650.0562 805097.2317 691023.0429 690010.3196 691197.7289 857933.2287 627310.6739 838806.1137 607548.0929 565707.7751 818199.1095 SM(d41:2)_feature2and3 SM 41:2;O2 40919.0090 64359.1573 46540.2651 47779.9200 41046.5596 43517.4910 54310.0504 55359.9817 52798.6524 40651.3609 729.1427 796.6920 1080.2480 570.7150 655.1295 1095.3577 64827.8067 67380.2043 56070.9370 65537.3463 67246.1969 66690.3639 64980.4334 61940.8386 29887.7687 25480.9187 40428.2307 32664.9169 49131.4921 64662.4549 54589.8857 68415.8665 46729.9136 38140.3689 39036.7698 42809.5279 43222.9072 32840.1247 208735.3546 45582.0711 53048.3017 55126.1205 59778.5817 40933.8306 55220.1870 35075.4654 39567.2991 52319.9077 69868.4814 95535.5685 41570.9116 78739.5127 44350.7655 55694.1933 60662.2644 51051.5838 39622.2603 64116.0441 55508.8175 52735.6147 50136.7090 48837.8357 58941.9813 49333.9099 66993.0127 42460.8969 40699.2630 57582.8056 SM(d42:1)_feature2 SM 42:1;O2 2019953.2280 2328720.6870 1821805.1430 2604007.6290 1706416.0120 2501970.8450 2947214.0500 3090175.5380 2628426.6580 1783100.3270 465.5775 459.8339 483.4331 451.4186 445.1280 529.9751 2705072.7250 2755283.3990 2571855.6330 2543245.8450 2765693.4730 2711276.0460 2713770.3210 2640638.9870 1578729.9000 1567683.5260 1739880.0550 1618586.2630 2048643.6200 3640026.7650 2012961.2700 3670338.7870 2589866.8590 1903814.1030 2157903.7630 1806246.9760 1902359.1320 1979192.6650 10105960.3400 2195351.2290 1994823.7030 2588037.5020 3596342.8340 2356174.1620 2802782.0560 1734089.7130 1989619.7400 2600894.1220 2964671.6300 4197897.3520 1773670.2940 3937806.3000 2263836.9730 2578364.5980 3107538.2600 3539867.4380 1666688.6220 3640376.8610 2784348.1800 2498042.6000 2350489.4820 2058324.3040 2685313.2940 2322780.8920 3640047.3670 1980319.2980 2334027.1850 2496562.0050 SM(d42:2)_feature2 SM 42:2;O2 2503320.4840 2848653.6020 2126804.0810 3974730.3180 1952434.7560 2746427.4920 3082150.5490 3268308.6090 2797181.8310 1684212.6030 1018.2735 1725.9133 1765.4464 987.8799 1656.6326 1675.4835 3111818.3770 3199430.5730 3152633.6010 3093918.1760 3266677.8900 2973076.2240 3217991.7770 3153931.7020 1775892.1330 1714463.2950 1842631.4870 1850862.6210 2031390.1140 5408436.7660 2058096.2920 4241126.6330 2664888.7690 1994491.2390 2150384.6550 1857075.2640 1941346.6330 2071896.5320 18483264.4300 3348740.0690 2339871.9420 2917062.6120 6592619.1010 2440256.1200 3741488.5840 1632680.1360 2075881.2710 2758272.0480 3314075.0360 7369962.6000 2094179.3820 4834294.5700 2282158.5840 3050617.8990 3569868.3530 3582565.9690 1763995.9760 3756512.2640 3184922.4850 2639458.3230 2356435.3620 2213730.2890 2841943.4440 2653718.5940 4294838.8050 2201151.3560 2632038.3300 2940348.4610 SM(d42:3)_feature1 SM 42:3;O2 397106.3954 453256.3388 362813.2497 502015.6605 326688.3410 532394.5600 495713.9433 604100.5677 529397.9764 311315.5037 566.5458 575.3172 593.7041 529.8094 526.3993 592.8455 500708.2885 525487.8460 500530.1787 494081.4795 488143.5047 527982.4053 498431.3466 509353.5198 315329.7870 286945.6696 308436.9542 286273.5623 339194.7590 702890.8391 346595.0613 606527.8777 428455.7251 327115.1624 404936.6736 318328.0627 357385.3568 352656.0743 1716973.7090 415896.2603 382766.1276 472872.8427 776742.9415 394970.0839 551809.6629 301058.7386 314414.4068 523540.3025 584516.5146 922376.3969 345192.8956 746219.5416 340120.6293 544622.9841 652311.6256 513935.0564 323049.0202 713694.0381 629349.5344 437516.7430 366535.6356 368798.7189 463050.9135 500439.4687 727204.3163 412809.8208 493057.3884 523066.0127 SM(d43:1)_feature2 SM 43:1;O2 36044.8715 27735.8370 16164.3186 25607.4439 27793.7670 63202.4840 79492.8430 77549.8654 69417.1861 46305.2205 536.6848 573.2332 778.7428 520.2598 619.0289 957.7471 51940.3402 51543.7056 59750.3039 57299.4791 49454.4367 58881.8318 49293.6604 55244.6317 41613.2986 40800.9006 42798.5616 41490.5717 23063.1279 43547.7648 72579.9306 56517.7138 84048.7161 92020.8736 102350.7343 61712.7834 72135.7103 61105.6134 78186.2685 24196.1139 30290.5004 44895.1197 44579.1374 64339.0994 90816.2016 62528.1117 71972.3370 85231.5494 47842.8544 61753.8194 35938.8701 49853.4895 73438.3443 66992.4539 64089.7690 102667.3538 48544.6151 113231.6790 16669.9567 35444.3609 40598.0584 25938.9407 49045.3171 99955.7810 69641.6727 65686.8740 76158.9572 71020.9359 sn-glycero-3-phosphocholine_feature1 sn-Glycero-3-phosphocholine 679958.7732 1138834.2370 649247.0339 1132497.8170 734311.4217 1392209.6850 1214065.5640 853521.4072 1239779.2620 890551.8570 402.6390 5779.0766 5688.8900 1036.0921 6577.1475 6544.6797 1193646.3980 1351749.5230 1413408.3930 1328418.4860 1240170.6370 1069431.0830 1357227.4920 1361867.7790 1462074.7620 1809159.3740 1072434.1960 1207691.0670 1081216.0290 950129.4007 1231288.0850 1412436.3480 878969.2742 1306750.4970 1211623.3050 1079185.3710 1415271.0570 1100148.2980 2724158.9400 973224.9810 1072410.6530 1677911.1190 1486839.2370 1121409.8150 1565371.0700 1375540.6240 914215.9198 1706899.3000 1174862.8870 1506640.6070 883238.9927 1560035.9860 1206278.5810 1038244.3380 1161376.8830 1038761.5840 794354.4710 1231599.4260 701635.4914 873378.5606 1296783.7280 1166670.0150 1875651.0620 1655083.3970 1750196.5200 1588938.4390 2405242.0780 2535886.6350 TG(36:0)>TG(4:0_16:0_16:0)_M+NH3_feature4 TG 4:0_16:0_16:0 48974.2301 69883.9739 103442.8276 65151.1397 49370.9957 45254.2145 61925.7679 149044.2166 50768.1092 66954.7505 5589.8584 4740.1925 4784.2288 3074.8223 7569.3803 6693.6522 47730.0005 51859.3636 47188.1318 43858.2169 54340.0701 46532.4417 48024.9963 49388.7401 47849.9071 45322.7070 43066.5763 47984.5972 25946.5699 142475.2935 40194.6501 42187.3729 39334.1732 33514.0132 38146.4025 18417.8043 50635.3501 29486.2467 28602.1455 8936.8923 48765.0293 24705.0891 33415.5344 16728.2122 9806.1879 26696.6974 11026.3880 16353.3128 24959.0977 64431.7525 10961.9448 49863.2707 42791.2740 47120.2482 25918.2674 33337.9093 50863.2126 36343.3237 185932.1992 41898.3850 89898.2241 36653.7715 44536.6094 17844.7700 68006.2299 31928.7435 35880.2031 44801.6545 TG(36:1)>TG(4:0_16:0_16:1)_and_TG(2:0_16:0_18:1)_M+NH3_feature3 TG 36:1 41976.5292 72756.6988 109364.4676 46335.5655 28709.3602 31657.1527 79303.0437 126891.0617 49989.5511 100313.3300 273.5593 802.7098 444.8858 268.7054 400.3255 518.0042 47084.7373 43183.1165 49943.8787 47209.5740 43355.9215 45298.0284 48796.1827 45557.5098 29570.3990 29646.4214 46196.5775 38892.9552 12717.2467 194423.3166 32012.3980 25071.2116 29626.4066 22937.2044 34427.8676 11246.1393 137715.9839 20804.4642 15726.1390 7196.5847 58543.7613 15069.9729 24296.6416 18573.8770 18708.0470 21203.1173 14571.7700 19928.5700 29089.9211 60990.7598 32357.8325 40609.5289 27139.6636 54014.0962 17076.9253 30823.4031 103071.6041 38372.9216 154512.9966 29527.2677 74572.3341 28820.8430 24471.0690 19800.7898 66405.9150 28469.7645 21662.1177 16424.7735 TG(36:2)>TG(2:0_16:0_18:2)_M+NH3_feature3 TG 2:0_16:0_18:2 32214.8783 47339.1158 79097.1182 39472.5737 18849.3268 25707.1944 70582.9847 110140.0875 40526.9630 81168.0065 270.8063 1543.3539 839.2846 254.3645 1461.1537 1149.5294 38918.9999 37579.5123 37123.1022 37935.8854 39805.2192 38167.0236 38092.1398 37786.3489 34038.3958 31952.4345 50297.7477 47161.3936 11952.5269 189889.7849 22380.8080 26052.8653 26004.5072 21625.3949 31768.0866 10961.6659 145679.0584 18431.8556 27152.3679 7038.0935 45955.2050 13079.8257 24683.7752 20971.9817 23106.5475 18930.8277 14246.1699 20119.3745 6634.4635 49515.9285 20418.1998 43985.5575 22452.3776 45809.5028 8874.8774 37518.6451 86146.8499 22094.2755 91617.6276 21947.0163 50249.1455 22018.2823 24829.9507 19035.7694 64784.3788 24829.3973 21332.1944 14808.8671 TG(38:1)>TG(4:0_16:0_18:1)_M+NH3_feature2 TG 4:0_16:0_18:1 139999.3453 208905.9890 326715.6842 143451.3807 91753.8511 74620.9422 173775.3690 394661.1015 108634.8029 216665.1147 333.6893 749.7673 926.0156 285.3449 879.0512 621.8064 103972.9242 110017.9159 104067.2191 107206.7512 108018.6708 104760.3126 108572.0235 104881.3012 94885.3770 93202.0369 99906.0985 93970.2060 48473.3102 501782.1510 87218.2655 62689.5667 79082.6669 60369.8878 75797.4224 24532.5188 164893.0104 54518.4666 47004.9857 20886.3404 158410.0677 33432.5093 60639.9370 33950.2751 29652.6823 51904.3587 25761.0862 28443.0459 30695.0396 149087.5311 52668.9880 116520.3186 75322.1381 84906.9388 31989.0938 55991.6255 157789.0310 70490.0265 470749.2587 88177.2207 229692.4882 68225.2726 88573.7000 38842.5549 130917.9771 55078.9008 49204.7308 46103.7405 TG(40:1)_M+NH3_feature1 TG 40:1 13019.1006 15797.7602 28003.7612 13001.6110 17892.0987 6907.5091 14564.1709 42443.6868 8299.7103 11808.3981 213.4597 703.2721 244.6907 238.7732 333.4272 363.6547 9996.6520 9808.8451 9732.7134 9299.7572 8011.7902 10491.7504 9045.5302 10449.8001 7755.1882 13170.0010 11103.9823 13205.3675 4556.8104 46538.9394 7321.2946 7274.0606 6040.7796 5245.0063 5637.5978 1873.0991 7278.9308 6010.2277 5310.8267 2279.1942 11629.8294 4171.9150 4303.0451 3271.9585 2128.2309 5361.6826 2058.1741 1780.9751 3375.7938 18520.2106 7379.7285 9086.6654 5196.0971 4570.5627 2528.6868 2561.7424 7112.1580 4647.1125 57405.2050 9254.5018 19371.4985 4645.6967 10827.2411 4259.5967 12070.9369 3348.0127 4506.8777 4537.2907 TG(40:1)_M+NH3_feature3 TG 40:1 50959.2657 71685.1194 119412.2183 58374.3981 24364.6196 37410.2399 83105.2422 221630.4330 62907.8659 96375.9998 293.7182 302.3048 422.2058 256.5070 380.9305 384.4906 49521.6204 46854.2840 49241.9972 48821.7866 48552.1343 46124.4797 47666.6098 50091.4094 48743.1974 44507.4128 54598.0263 52869.9078 21561.5281 207886.9891 41192.1767 34099.2574 40528.1160 30360.4409 46019.1845 15475.1103 81907.4677 26363.6184 24895.8281 10750.7257 65804.1623 19722.3952 32796.6174 21322.6850 17814.7532 24482.5561 16126.7048 21577.1413 24419.4727 73545.6710 32145.8723 55484.5484 35297.2971 40371.2130 21098.3518 38268.9941 65231.2506 44334.6134 185167.4697 41117.7780 91326.4043 36746.4229 38259.8625 24660.0726 74010.3988 27697.7822 27472.7649 28686.0148 TG(40:2)>TG(4:0_18:1_18:1)_M+NH3_feature2 TG 4:0_18:1_18:1 72327.0081 112410.8213 181575.4728 70571.6036 55549.4981 33514.2449 91198.8275 198825.3117 35530.0942 115040.6857 315.0387 643.7371 432.8226 313.3636 373.8912 551.6412 61500.0445 56508.0133 59203.2849 57945.5380 52264.5479 60944.1293 60264.6214 58577.7464 52898.8714 45911.4786 59509.5507 59313.5694 20734.7998 291543.1348 46985.0811 35591.6401 37999.4620 33452.7064 24561.2557 15270.4805 92903.9842 26874.0801 25000.3368 10142.3279 81819.0941 11875.9924 31111.0689 14014.7143 19156.0178 24613.4344 10975.9906 10185.3270 31023.0939 80957.8368 50510.4921 59990.4038 26558.2224 79476.7538 34824.6080 56745.4130 84173.1368 67960.4048 259663.0736 43911.3672 107602.3765 35636.5877 55014.6424 35816.8838 107776.6583 26462.4335 26377.2599 38805.2796 TG(40:3)>TG(4:0_18:1_18:2)_M+NH3_feature2 TG 4:0_18:1_18:2 105995.9787 171527.0825 283727.8491 103996.0603 57259.5286 72870.1265 205538.6742 340178.3502 117084.3204 232836.8254 220.6022 336.4904 358.2616 207.6537 269.0049 399.9032 96946.0023 102766.3112 102352.6854 103791.2585 101906.6779 107295.6049 101746.0417 96761.4916 90501.6632 87896.8038 124513.1779 110697.8657 36906.4122 404066.3028 71258.4988 53876.1478 56109.0320 55033.9489 85633.9693 22229.1273 234416.3456 42574.8809 42023.9132 13610.5156 140141.2658 27241.1956 50729.5312 34602.7731 30646.4848 41740.4693 31845.9705 37075.6614 14108.8106 132734.3513 39162.7101 100217.1194 57829.6878 97082.9905 33727.9097 66403.9946 205978.8794 72314.4152 337090.8294 71669.3851 162653.0629 53361.1599 72622.5252 39358.5070 111149.7056 61358.3035 45149.1418 32876.1282 TG(40:4)>TG(4:0_18:2_18:2)_M+NH3_feature1 TG 4:0_18:2_18:2 25671.6242 46444.9858 66315.4687 33227.1677 13954.5203 19907.4468 53461.1496 85346.1427 26013.7553 59037.5675 291.7618 464.0316 453.5196 282.2638 437.1794 467.3360 26688.6670 28185.8567 25066.1052 26753.6074 27786.9618 28961.5880 27902.4826 25183.7044 30746.9187 29816.4784 40447.4883 39226.2206 9971.0399 130446.3815 17511.9659 17881.6349 14803.2935 16848.0261 24075.0384 5627.7610 69590.2278 11161.1249 22139.8072 3701.9311 30012.1212 7169.5969 17335.1860 10869.4964 10276.3818 11004.2545 8496.6797 9184.4840 4702.2462 42686.3644 11302.6013 32386.3406 14568.4964 25809.2556 10264.7722 24412.1858 50457.2412 20893.7088 81438.6075 18380.9424 38844.5530 13874.9133 17588.6232 10646.4425 31065.6926 14421.2528 12204.1124 8863.6124 TG(42:1)_M+NH3_feature1 TG 42:1 20787.7621 45720.0359 57853.5834 26512.6209 40850.1643 34647.0785 69495.7145 190928.7607 47046.1687 61166.9928 369.5934 768.3232 1191.4144 997.6129 877.2042 646.4120 36983.8768 35840.2855 34137.2965 39554.3081 36063.3086 36025.7192 36549.8338 36099.7176 43223.4667 41971.3993 41355.9170 40552.0815 12946.2153 181253.7176 21408.3545 20526.9508 24713.9587 39819.1890 49673.1669 14494.5271 77775.5813 30010.5592 14642.4987 5295.4220 56686.5772 12140.3379 15463.4319 22717.0749 22579.1533 30368.0206 14196.1390 24063.0130 10053.3755 40533.4459 13760.0793 22010.7858 14268.3528 38667.3232 10550.6280 31438.8867 50829.1027 30356.1429 100405.4461 19388.7821 35275.2098 12587.1007 16507.9545 18630.8790 53007.0518 22271.7201 20400.1318 20555.9006 TG(44:1)>TG(10:0_16:0_18:1)_M+NH3_feature3 TG 10:0_16:0_18:1 115712.7307 197473.7353 234543.4605 115027.0938 77574.7760 86735.3498 245543.8903 581452.0991 146789.7986 242083.7058 538.8587 610.2287 1106.5835 462.1625 725.8799 1012.9063 122442.5950 120882.3777 118124.4739 127301.5561 131493.9893 126507.8015 119848.6935 118973.8202 157515.9869 166294.1213 140370.1855 154533.1905 42477.9417 915549.7329 69322.1752 82049.4222 87255.5427 143562.2795 161279.8767 48436.2531 387553.4063 94415.3475 43008.2668 19948.4137 279144.3224 33056.5678 53292.5104 72599.1955 76575.0552 109861.2097 47657.8520 63199.7398 24939.6613 117825.8595 60582.9648 77137.1785 46173.6009 141968.6953 33363.6632 78654.2386 313702.2064 112530.3744 323244.8210 77521.4245 107309.8764 34282.6252 46137.0818 44163.4961 110905.4730 57778.1763 49379.1212 28192.4021 TG(44:2)_M+NH3_feature2 TG 44:2 78710.1470 146597.9181 179331.6865 85239.2050 46291.6461 132495.1847 350158.5232 803902.0312 216017.4151 308345.8682 326.7831 363.7484 374.6948 319.3876 449.4222 445.0602 131329.9760 134801.4660 134595.1900 130971.3259 122338.3332 133871.7729 133099.3928 134159.5782 219348.0307 216771.7854 189538.9660 190977.2081 40898.6380 573762.1174 65019.1806 80457.5929 69539.5090 168577.1527 267193.2330 65769.1187 510807.4483 124673.1028 45378.1348 15007.7289 207317.4432 32909.7557 54438.8970 101955.0685 114555.7014 128134.4492 73132.0660 115241.1271 17604.5896 114407.8388 28507.8813 83792.1353 42580.7275 198731.2375 54905.4577 111061.8332 285762.2166 156548.1786 271265.6469 60507.9817 101422.6866 35897.1021 47002.7851 79159.1621 197515.1275 97661.1545 81856.2587 64036.6540 TG(46:0)>TG(14:0_16:0_16:0)_and_TG(12:0_16:0_18:0)_M+NH3_feature1 TG 46:0 1317226.9530 1476871.3520 2113308.6190 1553542.5050 1128021.3710 909042.1396 1598547.8100 2619361.6210 1567963.0380 1723469.7930 372.7607 3047.2527 2582.1547 366.3440 2370.0529 3035.6240 1273265.6540 1305290.9610 1266744.7600 1287035.0170 1227878.5500 1295764.2720 1282352.8610 1286051.9860 1173398.7600 1166608.2590 996580.0048 1048487.2630 772586.3393 3412298.4440 978704.5657 1213563.4330 1293718.0770 1372251.9380 1406130.9530 645208.1542 1597741.0360 1104808.1210 705469.8457 373967.9275 2026493.0050 581496.1790 947746.0621 757445.2591 832590.0606 1035088.2960 589523.1219 831872.8157 368815.3243 1295831.3030 653434.0267 1072468.3840 852577.3008 1245688 553040.8033 940896.5147 1801548.6990 1287695.2430 2629888.9590 1198762.9830 1516278.0830 674808.6387 625383.3187 459822.8400 887843.5831 529476.2445 545854.1536 372239.1660 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 1114589.3310 1841066.5790 2412056.9980 1197144.7150 732294.8184 564802.9528 1644415.9610 2799007.9190 1137504.0490 1710436.3520 572.6818 530.2645 408.0387 571.1894 1689.0604 1232.0557 991558.4150 1004847.9990 1053364.1800 1021347.7960 1004065.1540 943713.9027 1064641.5630 1000356.8770 777307.2715 883852.2236 781316.7920 869668.7094 453196.2751 6786696.7020 792772.8278 816626.5251 960860.4091 1051760.1210 973301.3915 275927.3170 1972322.2110 612022.8118 447997.4769 159907.4614 2703059.7350 318703.9706 562765.5138 426168.1131 508535.7595 794279.1902 322836.4074 446827.9202 179574.0357 1174741.0300 347517.0621 790878.3010 478613.0434 1087633.1420 217709.3555 547024.7340 2344029.1270 723120.4656 3094823.7220 873264.4259 997276.4576 309267.6273 338739.4220 197834.9137 520266.3156 336239.1454 248681.6926 127164.2740 TG(46:2)_M+NH3_feature2 TG 46:2 552920.2762 910852.3191 1115183.3500 542456.8659 326071.2107 352826.6073 1038174.5420 1947000.7910 673290.6053 1048554.8280 713.7927 381.2701 454.4727 384.8800 387.0990 399.6073 509831.8699 517003.3888 527592.7983 524562.4953 529394.1051 524659.1228 503401.9104 521216.8566 666833.3734 653550.0616 651507.9262 649299.0085 211438.8412 3889398.1960 333749.0650 412574.0588 386255.1856 561118.0315 644265.2522 183619.2975 1779730.8050 355475.7346 198018.3437 80163.0699 1323458.7140 139481.5361 245878.3059 294412.7275 358142.2099 413079.9194 212131.5573 328357.0250 97529.0895 583436.4846 171261.8879 381502.7031 223835.7505 618651.3701 155430.6212 372665.6111 1650648.9450 490081.2778 1381858.3960 357019.5478 481564.3228 164066.5617 194405.7115 154983.3128 390289.4691 215159.0183 167845.9435 89898.7186 TG(46:3)>TG(10:0_18:1_18:2)_and_TG(12:0_16:1_18:2)_M+NH3_feature1 TG 46:3 100240.7796 177868.8523 144343.5364 123021.1238 65844.2759 120431.0024 325379.3572 604681.2757 182026.7193 304239.2124 286.4121 320.7043 366.2470 297.2710 441.9602 381.6297 132768.4768 135020.8956 132502.2208 138911.9469 109269.1139 134144.7799 136478.9839 135384.8469 156785.4461 168909.5650 174579.0433 184006.1011 33896.5339 827459.6175 82914.8035 101861.6284 81572.4001 137811.0729 209455.2334 47660.3265 556091.4888 93188.2307 60454.1537 15168.5743 284459.0342 43830.5351 62904.4610 94276.9840 103649.6793 120440.2907 67156.5622 113939.1713 16640.4670 150104.1838 40208.3847 103915.5373 31313.2665 190949.4100 48225.2374 94739.1690 344222.3531 118734.2933 306226.8190 85578.5093 74877.5892 37960.7619 57763.7465 64984.4601 151613.2494 84756.8421 66054.0506 45195.1070 TG(48:0)>TG(16:0/16:0/16:0)_and_TG(14:0_16:0_18:0)_M+NH3_feature1 TG 48:0 6313942.3400 7993523.9810 11556681.4600 7962680.8120 5035291.7250 6709399.0200 11815426.2700 14034778.4000 10305319.3300 12672610.2500 7177.9862 22081.6393 20953.5508 8036.0836 22417.8262 23503.8248 7240670.6920 8205803.5710 7937039.0340 7575219.8610 7689076.7820 7807594.0310 7803214.1970 7624706.4710 6703719.5140 6745230.4080 7164856.9110 6853312.1250 4210244.9520 17814096.7900 5707888.5610 7229229.5370 6518940.4290 8136190.8510 8842080.4210 4305670.3930 15140254.5900 6971235.4570 3998211.3930 1907618.3010 11398296.3100 3641909.0040 5404582.7400 5391609.3760 5990011.5990 7181749.0680 4610383.3030 5776923.1920 2160520.4390 7544176.2100 3275323.6250 6034524.2600 4865136.9370 8961675.4790 3707128.7660 7092563.5680 14460828.8100 8315965.8610 11630202.9000 7173146.6410 6694670.9970 3939708.4990 3297969.8910 3348237.5020 5744453.4210 4488443.2800 3969388.7250 2448862.6030 TG(48:1)>TG(16:0_16:0_16:1)_and_TG(14:0_16:0_18:1)_M+NH3_feature2 TG 48:1 85475.5045 112373.3246 150229.2239 96849.6087 78279.5241 47197.4949 107936.0976 180550.3355 85969.6895 91676.9521 148.2114 185.3105 162.9763 300.8864 309.7403 835.7220 101661.5693 86134.0419 75468.3147 80517.9282 71902.5329 87377.3435 90223.0087 103373.9093 77891.6431 94916.3445 73643.2824 84017.5052 42960.8452 106583.8074 68003.0752 71814.3567 86263.9183 85670.4252 79618.2265 32071.3605 103354.6619 61798.2651 45916.1889 18173.3253 82639.0392 31027.3573 59699.5610 49588.2656 45151.2676 59439.4220 28699.0418 42298.1908 22571.5238 81101.4298 32974.9294 67470.2427 43997.6500 77108.9836 18976.1592 42184.3590 45669.8585 55936.8482 102240.3755 97504.9331 77845.2161 35026.6353 31397.0260 18976.3102 47620.7806 28861.0415 28555.4793 15829.6013 TG(48:1)>TG(16:0_16:0_16:1)_and_TG(14:0_16:0_18:1)_M+NH3_feature3 TG 48:1 8291850.4870 11426715.9000 13905723.3100 9045022.3080 6196940.3920 4814184.3620 10624265.7100 15097564.1600 8868520.5280 11222919.2900 384.1759 2412.1276 2831.7199 419.1458 1386.5149 3567.2358 7374281.6550 7599872.0320 7403304.4100 7707332.9580 7656450.9430 7597035.3020 7151758.0480 7632789.0370 5976151.0420 5889746.6940 5910764.7740 5780628.8860 4061111.0570 26044980.9000 6455283.1870 7058764.4210 7503001.0200 7610506.6070 6905146.1270 3097827.4250 11236061 5806887.8050 4201601.3940 1890557.1070 14718001.6000 3228101.5610 5387136.4410 4134969.9560 4631609.4820 6094267.7770 3362587.5020 4776281.4150 1871106.6940 8223479.7530 3669544.7920 6075082.4700 4087078.4650 8442916.7660 2515380.1210 5158735.3480 13689415.6400 6514184.7680 15078983.1100 6875122.5450 7380507.7920 3399563.9030 3473976.5310 2425107.7040 4660631.5520 3490683.0070 2772041.7560 1511072.2880 TG(48:2)>TG(14:0_16:0_18:2)_and_TG(14:0_16:1_18:1)_M+NH3_feature2 TG 48:2 72498.7729 130223.7775 171924.8308 95062.2151 56959.4942 59355.8556 149786.0854 314857.6613 107577.5623 149145.8162 290.9768 301.9078 319.3646 508.0855 561.2275 552.9358 98359.8299 57582.6073 83037.9521 79560.3984 79584.7793 70838.0142 75073.8013 92999.1417 128648.2385 130002.0396 118240.6709 132371.0410 32435.2642 322452.9808 49983.3291 72262.4815 37912.2589 77040.3426 117529.7769 39020.2084 206520.0971 61096.3013 35291.0587 12440.5250 150988.6340 25092.7251 43322.2019 57896.6671 61356.4415 41342.1560 29717.9799 55205.7923 14759.6299 76449.2011 23912.3919 67593.2531 34464.8571 95957.4701 22347.9665 48052.6625 178923.2805 72251.7891 112134.6246 57612.4378 67689.9583 29380.0923 27220.0808 17347.7944 42842.9198 35897.5360 34002.1809 15663.5006 TG(48:2)>TG(14:0_16:0_18:2)_and_TG(14:0_16:1_18:1)_M+NH3_feature3 TG 48:2 6330600.8840 7976058.0140 11967360.5500 7046928.4680 3757113.2220 3388371.8730 8508399.6790 13715135.7400 6241864.1830 10698803.5400 768.6147 1968.0781 1965.5930 859.1203 1844.2581 2561.9135 5621670.4030 5959565.0430 5767073.7630 5948802.7480 5018073.5300 5792456.6930 5270479.8460 6257733.8010 5432574.2460 5477604.7220 5681919.5500 5898460.0430 2739823.0970 30411818.4000 4735863.8700 5103487.6390 4756267.9710 5902722.9800 5827670.8580 1771183.0840 13330790.8700 3800051.5290 2580700.1130 1010656.5040 13671607.9000 1975372.7560 3181926.8260 2443617.3280 3503881.4390 4370976.1530 2521278.5060 3458995.3220 1084239.0220 6103704.4600 2099667.3730 4603274.4210 2797635.1080 7068521.5960 1648453.5960 3754510.0530 14401075.5500 4432860.3530 14168819.4700 4580065.4010 5012435.1850 2223087.2490 2342439.8130 1701460.9800 3853196.6390 2426746.3190 2003672.3220 998167.3498 TG(48:3)_M+NH3_feature2 TG 48:3 1048522.8600 2059851.1340 2330936.5750 1097955.1850 582030.5532 561391.3334 1733475.0560 2417170.3070 1054337.2350 1877765.7860 385.6677 402.7733 423.3848 391.2312 411.8527 412.0362 921051.9000 922850.0244 752171.1959 751909.5026 939815.1166 789260.8514 863609.1686 910782.5817 742289.7037 866195.8101 979381.8449 1001573.3710 396177.0015 8012964.9580 717640.7050 716429.4267 730577.4941 835010.3150 916912.3947 251574.9788 2955162.3520 521272.4046 431090.9424 151815.1363 2680920.9080 293972.8716 470312.7567 393047.1544 510199.1115 706055.6343 340967.2784 405924.2415 175578.6975 1197687.9510 276416.6572 837537.9184 468923.1162 1135578.9540 176595.5467 638274.8763 3383102.4020 514362.2056 2348687.9640 704441.3967 805872.7547 324335.1103 343305.1725 217097.1237 538397.3965 359411.0260 241263.5950 114769.7916 TG(48:4)>TG(12:0_18:2_18:2)_M+NH3_feature2 TG 12:0_18:2_18:2 113233.2769 223387.2980 206529.0465 129581.0118 61171.4520 78598.3305 292952.0204 433641.1412 169680.9067 275805.3300 383.5539 420.8396 441.1355 420.0805 459.0796 538.1481 137681.6716 134650.4103 149715.0829 94361.4455 126795.6785 139442.2496 132031.9250 139908.9687 82662.2399 139601.9884 178292.8033 172317.6738 54348.5244 848799.3011 98627.9463 129132.5030 81765.0737 108069.9463 186247.3272 41214.6158 506708.7667 68017.5644 71080.1096 19147.9590 289517.8402 55548.5002 58636.8772 59804.1468 97502.3513 78623.6140 77546.1546 51287.9934 16086.4847 169261.6581 45977.9674 125387.9655 58549.2218 207169.7104 38095.7590 90990.5741 479032.9159 122140.1937 285558.2587 91232.1214 111321.7628 55734.4521 65824.3620 40121.9981 76608.8034 67082.1127 43124.5976 20149.9144 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 216292.5113 298158.3127 481802.8875 262819.0036 107938.1746 316380.1342 674806.0094 891426.7706 394810.3258 736917.7690 330.8243 951.6311 660.6648 556.3236 465.1105 1078.4936 237627.4899 279154.1112 299449.7173 247928.4072 273297.5812 161865.0798 295891.6815 283427.6557 293706.7087 292259.9026 316997.3746 368489.5093 117138.2657 869413.7292 170572.6870 237646.1760 228816.1306 316368.8346 532413.4635 131198.5421 870925.3015 236439.6814 119080.3792 48226.8625 430468.7893 121330.5153 152949.4711 170558.3733 220361.8872 205261.6101 161096.8106 246814.5762 71577.8038 294862.8434 97378.6775 180161.2274 145699.3766 410255.3313 93102.7095 362375.3284 818806.3249 253054.3510 425512.2717 280722.4151 258590.7571 134143.3818 62195.8341 120806.7617 174022.0721 161904.8007 155582.0351 139788.4637 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 661296.2421 865100.5138 1332279.6330 696913.7787 231706.0093 520033.5196 1651034.7250 2416781.8900 942472.6308 1898804.7090 583.8709 368.0458 375.5963 454.0557 373.6082 566.1134 698531.5046 692322.6018 764628.3927 702867.4427 672778.5431 740832.6026 711884.9194 700358.5182 621994.4418 670914.8466 898543.2819 852539.5886 273252.5710 3823259.6720 442397.3792 596845.1257 487456.0557 710148.7240 987043.4685 229759.5907 2988934.8690 400264.1153 255689.9723 98952.0369 1469563.2380 245866.8690 333951.6531 372701.6974 512655.5847 559941.8034 333527.1708 543899.1322 116071.9249 757018.0204 176357.6577 453945.0439 299671.7499 1117791.6920 206736.0167 670074.3451 2689719.0460 640951.7388 1239947.8720 563347.3218 556419.8062 247223.2145 208504.1948 231302.8066 622791.4348 382296.2607 255283.1540 141101.3668 TG(49:2)_M+NH3_feature2 TG 49:2 107451.3125 119868.8745 191537.5705 135581.6572 54023.7152 11918.7548 60227.4814 381991.5337 164761.0334 358340.5845 272.1276 474.3048 500.6391 315.3061 511.5011 622.0269 96479.8396 137243.9163 109998.6763 104065.5440 123057.2655 121106.4657 103191.1478 114632.5919 90146.9518 127791.1096 125979.9476 146689.4682 47043.0684 1040732.0950 99558.9589 102357.3013 77869.6976 104018.0585 21409.4975 3374.1092 58373.5952 74612.4652 49416.9109 21382.9739 267395.8881 46279.6030 53988.2237 63472.2195 14189.2018 79192.3541 48339.4210 56337.7265 21261.9709 146625.0972 40198.0075 82478.6979 54899.2396 144420.8580 26246.2206 82980.5731 345606.5358 23896.5920 311194.4781 106749.7956 98258.8390 51938.8909 44250.6399 41402.6985 13687.2698 49826.9721 51040.2612 21088.3459 TG(49:2)_M+NH3_feature3 TG 49:2 445010.6374 744675.6589 1391627.9030 488036.2180 175444.0087 502349.2052 1762166.1590 2388357.1400 840085.3715 1895883.5340 379.8094 494.0905 587.2798 379.8456 437.1239 608.7211 547248.2864 552964.8092 565094.3066 577618.0949 556177.4114 573363.0554 578090.0413 530511.5663 769387.0860 795295.5077 975810.6649 1021594.4100 117686.1522 4244679.9200 320611.6029 484479.2252 333414.1526 557734.6013 1036978.3570 221739.2199 3176317.9270 377158.8952 119640.8945 69550.4667 1293133.3650 163535.5578 152111.6438 302275.8985 480095.7663 363630.6514 251403.9500 429684.3383 84022.7806 545192.9090 80492.3287 364485.4440 216954.3234 1146431.9260 135997.2244 616173.9586 2923380.6940 675241.7641 1420266.1350 396629.2114 426992.0371 170417.1755 110603.0426 149295.9555 654327.7227 289458.7241 197503.1443 115939.0388 TG(49:2)_M+NH3_feature4 TG 49:2 366608.3091 170519.0850 177859.0586 340570.9393 485285.1786 429440.5065 266052.2895 27480.5576 290439.1185 61733.0539 593.8363 529.9923 546.7874 505.2164 506.3661 575.5236 341190.6803 276469.9880 335964.8609 326615.0143 331051.0338 324498.7922 313565.8693 317168.4916 325125.3069 361699.6875 192607.7212 205637.9584 536634.6159 18401.3584 363759.8839 397362.3951 434764.2032 408877.0041 230108.3912 620118.9010 266691.8344 468201.9880 495699.8255 835917.5875 215551.7929 563929.6029 460921.5039 480206.9852 454993.9392 428184.5742 533381.0798 385573.6254 756373.5755 326720.3488 612617.0335 409281.0200 489175.3217 262738.9494 630837.9515 386915.4715 24251.3368 399250.0934 212612.8846 381234.8348 422070.1108 572293.8551 522962.3714 587735.4623 415117.1139 414725.1634 529668.6746 740621.2157 TG(49:3)_M+NH3_feature2 TG 49:3 114374.8164 234148.3539 241851.6796 137090.3078 52200.4890 76097.5859 283137.6313 292075.6380 109320.9935 310067.8001 437.5289 458.5731 474.8151 432.8848 478.6921 491.6166 110460.0894 138993.6313 108062.4829 132332.9450 130846.7375 107541.8296 118229.2801 126726.5039 109060.0155 113121.1236 199645.1884 164966.6169 41030.6894 967953.7871 83101.3515 95297.0944 99224.2831 98952.5774 117491.0664 32816.1707 511522.3742 77373.1323 47366.8819 16826.3015 327701.7216 43628.1795 64806.9328 67290.0812 77626.1521 95559.2755 55758.2811 67660.9223 22048.9516 151711.2502 40244.9021 78244.7404 49741.2338 211045.3786 31362.7719 110133.1336 623774.0327 85380.4277 302382.2607 81414.8165 105201.6692 38720.3377 43024.9593 33112.7264 70388.7754 56514.4441 36286.8217 19299.4386 TG(50:0)>TG(16:0_16:0_18:0)_M+NH3_feature3 TG 16:0_16:0_18:0 3054862.2480 4494151.4630 6014834.6860 4952971.8710 2542377.4540 4823031.6100 6950749.4910 9967496.7610 6961357.8700 8477284.2450 15204.3101 37607.9057 35468.1413 15409.7196 38434.0826 34245.4193 4450730.7760 4789468.8990 4730121.2530 4691796.8800 4233952.2860 5069792.6590 4707986.0270 4457043.8290 5168964.7060 5575571.4330 5273637.1710 5673471.8160 2943933.1130 8471664.8950 3320423.3790 3649163.1870 4040204.7960 5077066.1000 6308548.6470 3070859.5350 9388149.1370 3937033.3490 2157085.6150 1185975.8910 5453080.3450 2365757.4970 3301695.8490 3528598.7940 4845689.6400 3898652.2510 3279778.7070 4551325.8740 1631081.7810 4108436.1370 1716684.0650 3770645.7470 2878793.7700 5913357.7870 2904450.8610 4811650.1880 8623072.9400 5514755.9880 6346919.1660 4188119.2350 4048044.4990 2812070.9570 1815173.5070 2571560.8000 4691146.0200 3355144.6500 3140413.9320 2687850.8880 TG(50:1)>TG(16:0_16:0_18:1)_feature4 TG 16:0_16:0_18:1 33130304.1800 39672290.6000 55144872.1300 37113694.6400 22923252.5100 30271396.1300 56702026.5800 75190332.5100 42254614.7400 63436074.6400 5183.5796 13642.2804 13427.8656 4071.7066 14155.8027 14048.0366 35651468.5000 38145812.3000 36386550.1300 39378373.4400 37459464.9600 37311535 37340395.2300 36323692.0900 29858505.4600 30113409.3700 36122259.4000 34764624.8000 19977340.7800 96059115.6500 30321756.6000 34211457.3600 30028334.2000 37652108.8000 38636385.1300 19747307.5500 72152548.1600 31954363.9600 21128008.9300 9834396.9650 61015049.5900 20058752.2800 26788818.1900 24193395.2300 30504146.7000 30103519.6900 22482575.4700 31814258.4400 10795015.3700 37436756.1900 15721400.3000 27726635.9100 20176183.6700 48136185.3300 17891010.9900 33294394.7800 74516486.9900 36329793.7300 49980678.9900 33087599.5800 32119182.6100 19646194.7300 17636994.9600 18927038.0800 31002395.5500 25303672.8100 20808576.0200 11413816.9100 TG(50:2)>TG(16:0_16:1_18:1)_and_TG(14:0_18:1_18:1)_M+NH3_feature2 TG 50:2 7813417.7110 13490835.6600 17070397.0600 11061099.2200 5808801.6910 5507959.0410 14938424.9100 12248087.6000 9589973.5470 16376683.5200 818.8007 835.5910 1064.9314 580.2296 717.1578 1079.5880 8691879.2220 7898121.1370 8009431.1450 9571142.8660 6745856.4670 8363743.6380 8121079.7690 8661446.0330 7819621.7410 5665071.2550 6438673.9270 5277080.9890 3558245.7990 36782141.9800 6592564.0650 8067311.1230 6169310.7090 8262120.0840 7685151.2800 302882.9045 16843849.6200 3851707.9870 4919599.0600 1387098.5040 20240516.3300 2859062.0520 7113458.5720 4103122.8380 4785077.3580 7138232.1470 3685451.2270 4827550.1570 1607644.7090 9126057.9960 3491389.6780 7169179.3970 3554954.5760 7126131.8520 249479.6803 7531051.1190 18186663.7700 5515531.5420 15608058 5713974.0630 6022809.8250 2704254.7500 2940199.1510 206179.5392 2369065.0330 3945009.9700 3028600.7750 1638047.6380 TG(50:2)>TG(16:0_16:1_18:1)_and_TG(14:0_18:1_18:1)_M+NH3_feature3 TG 50:2 32389434.0400 37450126.9500 52403543.0300 32737064.0400 19906947.7200 28615196.8600 57153650.2100 80816548.7400 43895875.9500 64280328.1800 1058.0149 5372.4039 4922.7934 2310.5952 6116.9514 6948.7730 33477174.8500 35726956.5400 35402609.6700 34449158.9300 36580535.1300 36618594.9500 33931146.8500 34068144.3700 33952613.5700 35502565.6700 40357537.8400 42432421.4800 16573757.7900 89440217.5900 24685742.1900 29559418.0900 26361803.5400 32965991.2200 43206704.5500 19169866.7400 78025177.3600 26443663.4800 16723722.6400 7902601.4540 50141361.1500 15303547 22599370.1200 23196373.7700 29037323.3700 24852012.1200 18820743.8700 31257277.4700 8473665.4970 32392041.4600 13616012.9000 28432076.6800 19505618.5800 51372342.4800 18059429.7500 31547665.7800 76411291.7700 37164334.7300 53326877.7800 28707770.4700 30589125.4600 16852472.4700 15960338.0800 19194287.5200 34436956.7300 23807588.1000 18635669.1200 10571022.1700 TG(50:3)_M+NH3_feature3 TG 50:3 15551158.5900 24074427.9900 30611694.7000 18896078.6800 8951256.2910 10520595.3300 25913445.8700 33841811.0400 17575207.0600 31175702.1200 3444.3859 8610.9977 7373.5022 3172.2989 5790.2684 6003.0248 15797145.9000 14468459.5200 15549009.5400 15943716.5100 15329198.2300 14394854.7400 15369766.2200 15686229.8000 12455556.2000 14237067.3600 15189644.9100 17275726.8900 7506593.4310 71269108.4600 12555368.4300 12968069.0400 11096316.3500 13542434.5400 15307713.7200 4890320.9490 38936922.8300 9408652.8210 7532184.7170 3004465.8570 34194395.4600 6185952.6990 9166660.3080 7341255.6930 9137999.5230 11899163.1700 6470712.2100 9843509.3950 3012569.5190 17599576.2700 5474149.6490 12542451.2400 8048420.1720 21002367.0300 4543981.2590 11820922.5700 48937160.5900 12289046.2100 32229614.8500 13121114.6800 13586300.1300 6152053.2400 6445619.7300 4743368.0710 9794552.0710 7949949.7190 5421219.8200 2688207.3030 TG(50:4)>TG(16:1_16:1_18:2)_and_TG(16:1_16:1_18:2)_M+NH3_feature2 TG 50:4 1993750.7280 4070399.8930 4598357.0160 2376694.3140 1039031.9870 1215864.6170 4203958.0140 5220415.1680 2265162.8350 5000853.6210 488.8349 517.0320 515.6798 491.9638 509.9144 544.9028 1943190.6100 1981151.6140 2032556.8670 1983282.4660 2004376.1280 1924994.0350 1957294.6150 2006176.5540 2106923.4980 2078494.1250 2933776.2240 3032380.2840 850315.6492 15223156.3200 1503413.5760 1620355.8170 1298663.0920 1684886.3560 2113918.4570 540761.1565 8491220.4600 945081.8593 906662.8655 285964.5503 5134624.8320 659224.6037 1050806.1600 973377.4891 1218223.2980 1420900.0830 872116.3311 1341967.5870 331006.8166 2474723.9300 586262.2836 1788510.2340 1005487.7440 2924217.8880 581539.9932 1867139.6680 9417316.9180 1653728.2210 5015192.6140 1439866.1060 1597552.7300 730027.5876 716727.5853 580454.1049 1381689.5510 973459.3609 568391.2869 315921.3290 TG(50:5)_M+NH3_feature2 TG 50:5 123966.0656 212656.2349 337102.5993 184015.6430 85634.9590 104609.2461 324769.3387 409142.1533 203877.0957 327970.9014 2559.0080 29248.4797 905.9395 1729.9135 11945.8796 8502.3201 145577.3328 147320.3712 122035.6980 139910.1280 106210.2263 155082.3714 141786.9280 140283.1957 194969.7000 224564.6626 184967.6473 205945.4792 60377.4870 1110000.7760 120103.3215 148665.9473 102027.1456 139220.8488 189156.0861 40557.7072 483684.9371 46692.8832 70367.6298 38210.1478 327910.2239 66091.9949 57975.4017 89214.3667 96125.7715 87799.6053 59754.2015 98206.3351 43805.0794 214781.9265 39633.2543 149945.6831 41174.6186 223142.9011 56686.7046 139589.7235 475014.4265 116145.2771 383362.1432 144131.6097 139919.5858 47754.2379 66018.6797 24163.6633 103611.7343 77818.1165 63330.8177 45690.1599 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_feature1 TG 51:0 79334.4402 119152.7456 211753.0450 135509.6872 59532.7591 137202.6309 253670.6011 472017.7824 256156.5847 369955.5562 373.7596 442.1895 645.6256 391.5104 376.7658 839.4559 147660.1203 149995.6920 152385.8587 145659.8135 147661.2942 147830.3343 138945.7643 157004.0740 196416.5612 193075.2952 222863.7748 213641.7988 77435.0139 278362.9704 95342.1769 101714.2052 110585.1485 162488.6902 229403.1225 87018.2022 433156.5129 98922.0912 55004.8647 25246.6247 204493.4137 62642.5457 66718.8479 107964.7143 187552.0923 85315.0730 80990.9203 141032.6323 34559.3977 140835.4512 53965.4513 91383.3937 79131.8920 222977.0415 97821.0647 183452.0352 384240.0757 207700.6963 178431.5308 125749.3626 91947.7294 85923.0912 52113.4432 81312.6804 179126.7576 98988.0197 101241.8201 88859.0656 TG(51:1)_M+NH3_feature1 TG 51:1 75561.4769 122017.0848 167858.4570 105469.6276 56462.8065 70540.8725 164948.9183 225042.8116 121203.4708 153870.6388 222.9553 220.2629 230.3288 419.5088 436.3964 453.0315 115060.6767 101306.6198 99318.4657 93163.9072 80054.1837 88002.4314 110716.6557 126836.1527 110217.3586 114097.2139 125076.9946 141713.9381 41512.2499 239467.7851 61724.8020 85632.6071 70675.7496 82839.1040 115113.6570 45748.4426 209101.7947 64922.3376 41022.1539 19753.0997 153491.1548 39274.2164 58292.6992 62267.0855 71442.2483 69989.7220 40795.0039 72168.3014 22710.9393 81883.5044 32183.7573 71107.7236 44653.5306 117187.6017 32672.1488 65464.5473 113639.0938 74570.6524 151573.5599 73471.0128 75768.2066 41057.9489 32777.8381 33754.2021 73751.4214 52670.7445 45926.7493 25045.4777 TG(51:1)_M+NH3_feature2 TG 51:1 807823.5889 1261904.3040 1906895.0190 1115409.5070 319725.8317 1142216.3170 2684125.9260 3730933.2920 1466370.4710 2680548.0120 328.1461 350.8911 341.4194 358.9903 387.0660 354.5780 1114040.5750 1035501.5180 1087283.8650 1018617.8680 656300.2130 1112037.1940 1138853.8930 1079208.9750 1078126.8070 1030412.9420 1310292.9720 1726767.0820 411882.1916 4106999.2460 845290.3656 895469.2200 922592.3627 1269226.0930 1628147.9010 428365.6316 4119628.6240 673390.2294 397706.1585 163739.9764 1962870.1120 469605.1203 624991.6380 631403.4298 924817.7463 842052.0565 645670.4267 1011406.3280 226439.9749 1283938.7420 285080.1788 828189.0827 618301.2412 1175806.2350 470693.4119 1352395.8720 3237780.8180 1326473.1070 1914650.0770 855695.4571 872893.7960 595384.3709 383968.9142 539100.7609 755340.7845 905702.4685 566337.1370 372767.7295 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 1036746.0090 1575031.2260 3083087.5840 1273537.0220 349645.6918 854104.7570 3050553.8840 3469012.5280 1387909.5490 3350438.8500 481.6116 522.0641 610.5176 417.2144 425.2146 422.8464 1082804.1570 1195628.3170 1290174.2510 1439401.2120 1178036.2580 1138080.7670 1194960.7050 1207556.9580 1205341.5320 1031971.2620 1634727.5350 1479057.0780 414046.7206 5642513.2120 888087.7721 972421.1553 749687.9627 1143747.8060 1556018.6460 367651.4428 4122447.3340 606651.3636 595301.3303 148778.0424 3360180.2930 387911.8442 550081.1641 621002.2679 926209.4206 1089629.7280 509525.5826 959003.5591 191633.5899 1169440.6050 297178.1312 883670.5127 440955.4554 1874061.6010 343791.3163 1165489.5750 4584233.3950 1064896.5350 2729827.6320 924093.6644 862678.5834 395475.0363 390895.9083 429617.6490 1130457.4030 759650.4325 416822.8475 219534.4261 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 886880.7170 1671762.8820 2051588.4400 968583.6337 325804.3829 834002.5737 2697455.1240 3270820.1290 1401741.9420 3439128.7960 399.8948 415.1512 448.5168 391.6699 419.7298 533.5871 1093122.3050 1052763.4560 1113936.6400 1058291.0020 1092307.6050 1026116.8580 1137064.2920 1064736.7220 1257499.6210 1265419.8040 1757757.5940 1873194.2380 358686.9480 6304533.6510 661496.8838 948261.8454 649625.9080 992657.1162 1563861.4690 299611.9685 5530852.5800 625213.2709 401979.6009 133185.6102 2661793.9850 321456.8459 579119.2090 617894.9576 808056.2310 686491.4454 488818.5426 902337.3335 184208.0311 1167400.7750 272854.7365 827598.6085 443586.4316 1763759.2010 336824.6334 1096965.8430 4748660.8200 1060645.8260 2028491.2040 793516.4192 810243.5698 357915.4005 367339.2228 367075.1791 1044311.5370 637403.7658 367826.5036 192491.0354 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 202774.5754 356516.6103 481701.7283 229213.0633 77753.1106 171382.2710 601559.0267 757428.0334 276443.8832 784202.7534 774.8238 1300.9076 812.2732 550.1997 594.4421 749.9103 221266.3940 250191.7082 240668.0115 265548.6714 244405.2812 244725.8899 231217.6617 236873.9300 338865.4671 397284.9981 577576.1191 619729.2002 83006.4841 1732670.1600 145778.3084 187532.1891 137482.2535 188929.3762 350592.2317 73139.0964 1484388.6670 142775.7999 83251.3426 26597.0364 588814.3716 74692.7146 125845.4960 150284.5929 163312.6479 140210.8145 119927.0663 202159.2927 46745.3675 281674.6527 57525.5238 180598.2269 103282.6293 449730.6758 80784.3990 293799.9031 1187064.6100 200081.6074 512064.6963 160146.2270 182908.7137 80289.4752 89908.2575 95856.3679 211627.7042 147581.2373 94185.3852 57502.1004 TG(52:0)>TG(16:0_16:0_20:0)_M+NH3_feature3 TG 16:0_16:0_20:0 477903.3874 734925.8326 1020968.3860 803595.0844 410629.1431 789336.2572 1383789.6260 2440232.0940 1442367.1660 2171318.2980 7987.7547 17267.8205 17023.4712 9187.3582 18414.0213 17310.4013 849201.3272 863815.9984 927756.2207 814136.5244 845431.1104 831012.0129 879902.0808 875236.7234 1049031.0250 1251794.5240 1306609.9810 1346300.0130 447318.4730 1311330.7820 555689.0898 622019.3377 640429.2567 828273.5905 1336160.3510 609973.4635 2210021.9340 655256.9355 357585.6468 191654.0728 1158184.1510 434023.5782 518300.8190 698777.5785 1024222.0180 543385.0623 513622.5257 1066422.0430 233965.9659 756848.6131 279074.0942 523325.4191 468155.6932 1126918.8340 588780.7678 861027.4027 1827703.0770 1220540.8790 869369.3368 688377.1799 637590.4661 606869.3743 280192.8380 483144.5445 1099956.3350 615198.5012 610416.3945 697838.5551 TG(52:0)_M+NH3_feature1 TG 52:0 242770.4894 289947.4603 354456.2776 277303.9638 263117.5779 249192.7987 337149.5983 379315.6285 285472.9048 274279.3149 229.3513 232.1936 249.9691 1223.2677 438.3735 449.1597 300728.5023 300243.2357 264740.7803 243629.9382 245364.1527 269685.2883 292773.3274 326360.7076 250897.2045 267727.8907 261835.7852 294974.7841 203185.4604 369447.6602 240180.4216 256024.4822 271508.7047 253066.0355 247284.7696 218258.6962 286868.7420 249772.3737 210056.9731 142270.2366 309858.1975 186046.4313 256465.3245 219435.0076 234068.1443 243999.0974 190742.7695 233881.0523 139692.1922 250324.5910 185676.2036 226572.0002 195345.4180 264464.1276 171499.3728 212958.0333 345508.3331 270537.0323 311326.6476 258976.8107 239007.7028 198838.4493 166943.1270 164271.1240 205155.3198 198050.2781 214868.1008 143996.8046 TG(52:1)>TG(16:0_18:0_18:1)_and_TG(16:0_16:0_20:1)_M+NH3_feature3 TG 52:1 12556675.3700 15971550.6800 24731678.7400 17778583.1400 7984155.5950 14624837.1100 27197401.0600 44295761.3600 21321973.2300 35351622.8200 6387.8183 9440.4518 10812.6114 4671.5418 13953.2038 10414.3451 16535925.5200 16980075.3900 17530459.2100 17370877.0400 17235040.4400 17289068.6400 17957622.6000 16050254.0700 19167824.6500 19694633.8500 21750904.9700 21608794.0600 9256166.8990 39081715.3500 12585598.6600 13246209.9500 13289053.4800 16334910.1700 22757296.9000 10224847.0700 33694446.4100 12184404.2200 8048291.2610 4126175.1190 23160045.3600 9479621.8000 12503812.2800 12137776.9500 17165326.8500 12827670.8300 10105610.0700 16792121.2300 5034399.3250 15878442.5800 6099951.4500 12493443.0700 9693823.7000 24724355.9000 9567885.0360 17940845.4800 33059148.1200 16867339.5600 22961298.1100 14300047.4000 14991975.1300 10800563.4000 7287873.8500 10616719.5100 20146261.5500 14125018.6000 10894829.9300 8845740.4060 TG(52:1)_M+NH3_feature1 TG 52:1 39696327.4500 59032723.3800 73460478.2200 44034930.2100 22069711.9500 37023171.2600 86726735.0900 59265725.1200 53715077.7000 98301362.2500 2901.0227 10880.9448 9643.5955 2430.6978 9497.0997 8875.4976 44812197.1500 50817685.1500 48627232.2200 50286173.7100 46135745.0900 49361011.6500 47396744.6000 47904680.7000 57059277.2700 42124786.8900 78178843.4600 72006919.6300 22620086.9800 111563830.4000 35610679.5600 40756289.3600 33927108.2400 35859605.9300 56392265.6900 20266250.9900 101887851 27588603.5300 26626959.0400 10196255.5300 76957635.5200 23521490.5900 34417252.7000 31930609.3300 41354246 29237011.3900 28482296.5000 50826909.0500 11975268.4600 50755292.4900 16940983.3500 40898732.3500 24702560.8600 72763286.1400 22377050.1400 51215602.4500 126252617.4000 44150228.1300 63702222.4900 37863855.3700 38309704.5500 25111598.7900 26584170.6000 30783804.4200 56728874.8400 46227025.9400 28401779.0400 15271077.2100 TG(52:1)_M+NH3_feature2 TG 52:1 226646.1693 2435940.7920 5165496.8110 1640744.1910 51413.9145 1724458.4060 4540880.1320 5048063.8510 3472717.6180 5781040.2520 237.0049 414.8695 249.4591 293.5764 670.7556 387.3716 2119555.4740 1877014.7070 2335882.7930 1710804.7750 1692119.8990 2505140.2060 1537240.7310 2282941.3400 3480819.3250 2043186.2190 3277244.8380 3392596.8860 554420.9162 20811045.6000 6033752.5430 2457008.5640 2131727.6580 6834930.7420 2264509.7990 958154.4993 4544219.9560 1295491.4770 4197765.8780 328501.1847 13452612.8700 3927166.4410 5824007.4430 1622940.0560 2132973.5570 5501850.2820 1539907.5080 2593629.9720 365141.6188 2727202.3290 602400.1134 1122341.9090 855189.2915 2442641.4620 95099.3373 2104531.0020 18338522.5800 2984251.8120 10680028.3200 108690.7960 1409818.4820 955297.5132 182081.0709 1420040.0040 3043802.1990 2578478.1920 4552656.9650 828914.0964 TG(52:2)>TG(16:0_18:1_18:1)_and_TG(16:0_18:0_18:2)_M+NH3_feature5 TG 52:2 57294008.6100 60711767.6500 67287546.9900 55243214.2300 33464249.0900 41796001.0700 89852184.3600 98019367.9300 53812208.9800 76126093.6400 9940.8205 15393.3082 23504.6584 11833.1878 18387.8055 18683.7082 50736667.4100 63031433.2000 42091284.1700 63571636.3800 53180351.2000 48641925.9100 43388305.8300 63706416.2000 42862547.1200 48297617.4100 57197231.4400 56257354.3400 32089198.7000 172513002.5000 53019664.8200 41016674.8900 34953428.3300 38859621.0300 55520561.3100 24062203.2200 112060069.5000 31571049.4300 35707729.0200 14170117.1800 99416165.0200 34595061.6500 49993844.9600 27259085.9000 41369725.8800 45963457.4700 27007682.4000 48484276.7100 16946867.3200 47077636.2600 18844171.3300 39041140.5800 28805485.2300 74093258.7100 20912289.4000 50438450.5400 151212082.5000 38576691.8500 90912983.6500 54987155.5300 41362647.7400 31091715.4000 31814948.9800 26742679.2300 45405506.5000 34182677.9200 40799209.5800 14099447.4200 TG(52:3)>TG(16:0_18:1_18:2)_and_TG(16:1_18:1_18:1)_M+NH3_feature3 TG 52:3 43426.0812 40394.5671 48126.5598 47105.1366 28626.8845 43172.0285 102259.9399 221468.8106 78814.6152 98884.7272 385.4780 390.2864 386.2386 444.9613 451.9610 454.4830 38080.4449 39524.5267 40088.3562 40573.0113 45346.0281 40645.7397 37172.4978 39104.9306 67637.9477 86339.9613 45309.6279 59803.2484 18398.8463 207906.0933 24717.8844 42385.2991 34606.6037 38492.8227 86681.1680 21247.7137 101361.3592 36342.6412 22342.5980 8844.0922 61956.4530 17872.9089 28225.0894 22397.0370 32596.8295 38809.0281 21583.1296 33080.2202 13271.1379 43689.9825 8908.3970 38744.1612 22606.2740 42896.7210 16945.9765 36487.6744 115035.4637 46212.3250 59782.8885 48099.9061 33581.3757 19894.4853 10251.1501 14091.0270 36872.1584 17556.9527 15822.4493 12965.0618 TG(52:3)>TG(16:0_18:1_18:2)_M+NH3_feature4 TG 16:0_18:1_18:2 61734879.1700 11169739.2900 103394334.5000 74180504.9400 38983306.1300 59699110.9100 126401497.2000 136263254 86894168.0500 138997123.1000 3703.9372 9792.3887 9000.3881 4492.6377 10517.2946 10642.2189 70413746.1100 77185850.5000 77540197.6200 77942414.7400 70493470.5200 71488947.0200 75448269.2900 75705419.3600 77510244.6200 75632187.4600 94561772.5700 97484674.3000 37256347.4000 169509809.6000 54999817.6200 64542023.5900 54736942.2900 64382239.9400 88784406.0500 33285403.2400 176225308.1000 51017588.2200 40719169.2800 16003678.3400 108140235.9000 35195256.2000 54258239.9800 48562716.6400 61605392.8300 52840428.2200 41741250.3500 73094813.9700 18284751.7500 75833518.2900 29366997.1600 59984112.1000 39347836.6400 108578739.4000 34591181.2700 73517603.1700 163095654 69717732.4800 102249548.8000 58013629.7600 63943794.5600 37067940.5200 38457775.7600 41990244.7800 79361605.7900 60440786.1700 42657824.2000 23757084.8400 TG(52:4)>TG(16:0_16:0_20:4)_and_TG(16:1_18:1_18:2)_and_TG(16:0_18:1_18:2)_M+NH3_feature6 TG 52:4 1241720.7930 1469351.3710 2638481.0710 1497825.3590 727204.1422 1164045.7030 2599562.1930 5145245.4090 1999294.8910 2665271.1460 345.0865 348.5043 358.5513 430.2162 424.5972 462.9672 1300452.4920 1300330.8130 1233748.8920 1220703.7950 1372721.1940 886264.3699 1388485.5550 1390524.0470 1732217.2840 2048294.8330 1382417.0880 1837517.8050 640363.8337 10757462.2200 918277.6066 1308230.5760 1100872.4810 1517394.5500 1841909.6130 582408.6406 2676423.7830 1019113.3360 604804.7038 260999.2814 2702910.8890 348400.8277 885819.2065 788233.7274 869999.4344 1051144.4850 614034.6703 899436.9206 306525.0058 1465801.2870 375558.7504 912813.3333 793805.6347 1568765.3930 478765.8568 1153813.1250 3443280.3970 1238452.2780 2447771.1620 1345602.9990 1163803.5170 531435.3845 483357.9015 459203.3936 1120309.6880 590766.5486 508313.7716 353421.8081 TG(52:5)>TG(16:1_18:2_18:2)_M+NH3_feature3 TG 16:1_18:2_18:2 2069080.9040 4873375.5840 4658507.3000 2615569.4030 879861.3041 1229005.5490 4955904.4560 3745030.1210 2544784.8290 6039516.8340 393.7083 417.5835 417.6608 491.3915 511.0560 547.9902 2213912.3820 2371760.1980 2218478.9380 1996496.3850 2057336.5450 2129044.4680 2262917.1250 2351562.4750 1401950.9960 1981814.3080 2530712.7940 2706787.6870 858071.2374 14850720.0900 1526697.9730 1739735.4520 1282855.5400 1657832.3300 1702553.4500 363785.6659 10044531.4100 766367.9745 874821.9525 287843.5667 5883043.1530 726006.7703 1123708.0750 787372.8415 1257929.8570 1424849.3760 864231.5677 1485234.4720 329962.6057 3022815.0670 571135.0463 1818980.2500 1063768.4320 3668611.5210 392564.1003 1509500.8470 14034354.3800 1163481.7310 4684174.7320 1520452.9130 1643055.4960 751387.8138 816962.7874 643057.1471 1347746.7070 1130948.4500 652165.7522 274226.0991 TG(52:5)>TG(16:1_18:2_18:2)_M+NH3_feature4 TG 16:1_18:2_18:2 1154106.1690 2119377.2700 2547640.9140 1328892.5890 661082.2928 1246219.8340 2770967.6710 4698475.9660 1501008.6730 3998044.0530 397.7561 413.2591 427.2525 299.5607 315.7181 361.4064 1137199.4500 1276451.5860 1418760.5150 1338734.1210 1682996.4270 1490271.9050 1407187.9210 1060422.5030 2503464.7420 2363949.7680 4291158.2410 3710726.8760 546274.6407 6777890.3350 675620.0112 843423.6574 728410.1354 1136455.9830 1978743.7390 561913.8477 7671811.0180 967770.5897 508046.7045 93618.3375 1945855.3120 365064.4924 685605.9702 922665.6106 1113540.3850 851079.2801 702942.2112 775625.5236 235045.0656 1128225.4240 275462.0194 1575181.5660 605213.8160 2564632.5440 661661.0183 2004486.8670 5655482.3710 1641761.2670 2430538.8300 988827.8740 1142154.6380 529013.4076 505849.9391 509181.5743 1453950.2130 812612.8106 494639.0688 317176.3347 TG(52:6)>TG(16:1_18:2_18:3)_and_TG(52:6)>TG(16:2_18:2_18:2)_M+NH3_feature4 TG 52:6 192912.5536 227405.6768 400262.0821 159689.2465 107485.0231 85303.5903 326170.8266 587277.7965 229549.6806 276962.7609 361.1064 376.3928 384.1793 516.6454 561.8780 570.9876 149396.9157 94399.4127 156321.5732 173251.7758 183339.9355 112170.0329 123728.8142 138689.8366 225752.9727 336691.3470 208584.2906 304536.6990 89712.9193 1183454.9920 139313.1372 186283.9588 148185.2957 165145.3607 208944.8287 68001.2620 408422.6866 88121.0912 85321.2673 43619.1711 465543.5679 49677.1316 84413.6496 89518.5972 68197.6366 126627.7434 88023.1604 93873.1205 46000.7629 225486.3454 54339.8426 89427.8821 128183.4776 202032.1538 68673.6249 141689.8040 600002.3111 102006.5333 438063.4027 159781.8902 106592.2898 97635.5803 47578.7868 58604.9072 80890.4887 59820.6870 65568.8534 50681.1307 TG(52:7)_M+NH3_feature2 TG 52:7 30992.4068 51068.6864 67531.0660 29583.1054 16201.9804 30814.6902 66415.6439 121441.9519 51848.1125 39212.9803 573.4944 629.8660 660.8984 689.9432 747.9958 878.1100 34756.5976 40088.5394 36158.2814 30955.9261 30929.0196 36528.3360 37897.9713 36743.1070 38792.1171 49568.2033 41359.5900 51994.5097 18574.2668 187481.2603 24830.9457 35019.7704 37068.3146 25456.2050 39161.8431 16641.3521 87992.3437 35719.9720 19141.4201 6383.0397 42056.0778 14724.3111 20071.1655 14235.8431 29333.9625 36078.3999 17860.3617 17313.9064 8962.7018 51795.2933 8565.1033 33508.3953 36683.2957 49578.5307 14630.2250 43215.0416 111905.8784 40488.7210 77197.9753 37624.5440 31300.4733 21798.2421 17398.0552 17974.1541 30505.9312 2008.9496 19031.5448 17416.8774 TG(53:1)>TG(16:0_18:1_19:0)_and_TG(17:0_18:0_18:1)_M+NH3_feature4 TG 53:1 279801.1147 433838.4373 716972.1657 439818.8785 114956.7832 446828.6284 890008.2294 1932456.0370 649341.4456 1428160.5860 350.6259 362.3672 510.9383 376.1269 399.2819 391.7936 438294.9342 505840.2985 505777.1428 486547.8058 473157.8135 490452.6591 488622.8392 462443.3891 584349.4944 604380.4322 710773.3592 806174.2015 204172.0261 1206730.8540 298396.4632 336533.7662 338333.8926 463208.3648 760238.2924 207948.4481 1660600.3500 302552.5455 179874.8974 73612.9942 751216.5887 227354.7775 271548.5408 319500.3619 606900.6061 285888.8424 305262.3882 582693.6738 77892.1337 485189.0692 119689.1310 308523.5775 244565.6286 794570.6736 229327.2505 568284.7751 1438750.4680 597413.9063 638781.9136 348785.3851 376615.9703 267448.3058 62002.9395 192883.7851 785497.6059 395377.9808 328139.8595 242116.4528 TG(53:2)_M+NH3_feature4 TG 53:2 1092138.0140 1799874.6220 2319478.4920 1403926.2620 408613.1566 1195664.3090 3451368.7520 4540128.8250 1847712.3620 3830336.1060 450.7699 471.1707 463.8476 412.7491 464.8444 555.3195 1425370.9190 1584043.6410 1694846.8640 1608993.6480 1411677.4360 1573818.2290 1524053.6550 1562048.4800 1593689.9460 1632154.6910 2384529.8410 2511864.8260 486037.4273 5620371.5940 918040.5259 1272163.5680 1095675.5420 1269095.0930 2333113.7410 478854.3142 5212023.2320 907635.6711 572752.6025 171483.3901 2484732.0910 609564.8876 850002.3337 884424.1722 1272855.6040 842958.9191 844558.9715 1767789.1450 271536.2675 1702964.3800 351211.8204 1117735.0940 682940.8059 2422469.8800 680170.5253 1850650.6430 4221059.4730 1530243.3790 2400655.9800 1262615.4790 1280967.7770 783624.7577 583251.0756 750330.2564 2415471.2790 1239612.5690 831057.5689 488550.0589 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 115845.9895 229450.8580 294255.3895 166327.1145 42249.6400 120644.7967 322883.8056 388322.1103 175960.2083 350700.2195 260.9430 267.9645 287.0155 522.7297 561.8647 568.4141 183000.6434 184092.4010 181653.8708 139812.7169 150140.7912 174419.6565 173258.6257 209447.2568 216860.9925 239000.0041 285408.4224 377676.3006 57066.6830 445441.0376 103069.0692 153124.2338 88207.2618 118657.1904 213084.5402 58425.6492 393556.5426 98099.4308 60910.4417 28090.5369 281882.6102 63425.8226 102122.0592 99567.9476 120545.0788 103005.2029 65857.2422 135136.3232 26329.5072 149062.9996 38187.7798 109956.0430 68871.2756 233621.3875 49750.6638 127293.8937 482751.6656 116216.6936 279426.0805 113604.9055 117120.3489 62278.6805 56890.9422 61753.9753 161536.1254 92018.2627 72191.1715 43644.7070 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 318370.9245 609113.0497 778094.6651 372223.3326 142833.3069 279613.0662 970423.5101 1224964.6640 511535.4467 1125894.8140 306.1226 323.8417 321.1848 321.8485 334.6376 329.7065 471635.0612 422927.5897 399626.3626 409609.7072 410449.3590 389142.8897 478512.1925 433069.3438 377213.7503 522403.2561 737484.9518 605567.0711 82238.7317 2379759.7100 289486.4828 319547.2068 142095.8691 283499.3012 414160.7557 97076.2710 1623332.4920 182457.8000 171874.9830 32115.1937 1153717.7820 68136.4740 224893.8925 179358.4745 285038.0633 152691.5533 179803.0458 339738.8194 38404.9570 448111.2487 59289.5657 237224.3602 116170.3169 626044.6558 67171.3977 388123.6216 1504385.2910 285224.1018 946312.6878 266689.9627 293904.9099 131293.8438 129184.5449 177651.0688 538231.9991 300246.5073 144407.8990 55618.2407 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 752073.9146 1152848.7020 1762516.8870 863452.3114 254639.2250 749534.7182 2607103.8470 3138312.0340 1116499.3780 3268545.3620 468.6497 470.6584 471.6634 420.8460 429.3853 617.0528 981595.8073 1001333.4440 1026087.7050 1021311.3680 1016694.5770 1011806.1480 952049.0841 1026126.1070 1151082.3760 1030651.7680 1609113.7550 1681069.4160 337588.4611 4755026.3310 600248.0964 812972.0662 641173.7141 924191.2275 1517052.0830 302952.8131 4888078.0530 516481.3596 337507.7343 123614.4663 1767022.3860 355956.1405 487084.2064 585296.8062 906692.1868 568797.3813 510035.8984 1015646.8280 161965.9085 1072648.1730 210991.9512 727781.7587 388100.0960 1784121.9670 350133.3459 1182166.0670 4351892.0940 965661.7505 1419016.0290 770020.8930 761562.1021 370670.8597 346399.4298 455964.9436 1226179.7900 736657.8100 447097.6906 242441.7178 TG(53:4)>TG(17:0_18:2_18:2)_and_TG(17:1_18:1_18:2)_M+NH3_feature2 TG 53:4 635900.7444 1387441.4070 1547689.0330 692053.5809 196294.0469 541556.6028 2505843.6130 1661493.4290 994098.3290 1463311.2500 964.6393 22130.7481 23271.2816 895.3149 18392.0899 15844.6895 650188.0971 817054.8162 816046.1158 874925.0092 851305.9445 781753.2865 733502.0009 765868.9513 1228466.8390 1014784.3510 1816146.8960 1501583.5690 203897.2065 4088298.5330 536201.4775 640202.4115 467477.7935 711199.3718 1172261.5040 253683.9796 4864330.6430 411706.0070 350363.7820 93264.8148 1778283.8110 269068.7013 397877.0039 365517.8519 673019.3862 436016.7103 343493.3762 748906.0436 161098.2589 890851.5786 189416.1842 576944.6650 261728.3746 1353183.2670 309449.9873 879928.7492 3460151.4920 644899.9181 1399844.7670 626809.8101 614407.3272 271356.9399 338391.8891 312505.6533 883343.6623 496305.5301 200310.9997 170218.6577 TG(53:5)>TG(17:1_18:2_18:2)_M+NH3_feature1 TG 17:1_18:2_18:2 102188.2353 203675.9996 280324.9644 133575.0341 40870.1701 104602.5816 326286.0841 430026.3712 147393.7865 426390.3353 454.6943 466.1310 546.7504 506.9236 530.4861 558.1729 130779.7144 138795.4704 132597.2257 132970.2280 141092.5533 131114.8473 128724.4893 137689.2715 157507.9561 179691.5534 236123.3141 292165.8766 47799.5928 914845.1418 86182.2470 105091.8447 78752.4763 113287.8735 186957.1544 37767.2477 794151.3907 67103.6645 61357.5206 21949.2627 329141.1389 43644.1017 76245.9960 71998.7463 94125.5788 80695.0745 70521.0579 124197.4921 19521.6031 170989.5231 34207.3621 101799.9098 63500.2326 232194.9147 27096.9164 154201.9749 819783.5847 110207.2286 234783.2268 98064.5947 100082.0296 29613.9607 55997.9119 50107.1809 120193.7641 94054.5478 47499.4889 19177.4564 TG(53:5)>TG(17:1_18:2_18:2)_M+NH3_feature2 TG 17:1_18:2_18:2 73969.8282 115650.7510 129094.0025 108324.4856 41774.1700 74732.6325 131343.2072 250735.6772 128620.2728 136393.6316 959.9576 2137.4513 2441.0646 1318.9568 2448.3217 2452.5072 47110.3551 71559.1554 81541.0900 86177.1386 88983.0505 67110.0430 61368.7588 57119.5174 106051.1908 146975.4319 109338.8410 200990.1809 23712.9252 267065.8163 42040.7029 88359.3214 68263.8738 51464.0410 132942.8047 38201.6239 183824.8445 80320.3738 36192.7882 16864.5606 105092.8227 34399.4217 55360.4133 52550.7190 63103.9753 64888.4930 31530.6109 56568.3393 25013.8916 106338.5492 29591.7133 55626.4570 26935.1844 120185.1762 25735.9546 92238.7994 260603.1296 130596.2644 141695.1103 77305.9039 64823.1696 44575.2188 48767.8408 23944.8818 74361.0008 51711.4238 46746.1427 36357.8984 TG(53:6)>TG(17:2_18:2_18:2)_and_TG(17:1_18:2_18:3)_M+NH3_feature2 TG 53:6 27345.7066 24290.1763 65350.2169 25843.8634 9985.0113 20021.7157 72111.4533 106465.0312 44980.1406 46363.1636 463.2484 489.0749 487.3393 406.5175 429.2485 455.8515 24140.7476 18864.4983 19119.1738 29254.2879 23984.7999 19257.3256 19709.1686 24032.2638 57630.7487 52801.2675 63982.4051 57872.5706 10639.3171 150381.9991 18002.2352 22549.4184 19824.5374 18778.4165 42933.6315 12437.2415 104051.4774 19202.6568 13888.0644 4011.5117 54918.5784 10173.2792 9027.4799 23857.3437 22235.3813 21043.0160 11063.7606 25641.8447 5560.0459 19856.5560 7360.8950 18525.7128 12465.9829 44761.7692 13280.3268 37635.7872 116089.4647 17840.2580 57730.4940 22039.4289 13314.9403 11967.3359 11037.3251 11860.7884 20149.2586 11502.6954 8006.6732 6971.6072 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+NH10_feature3 TG 54:1 1030802.3660 1406554.3070 2559081.1590 2589426.9690 539673.7979 1904200.8170 2454365.5380 4373024.7420 2508152.5300 2562244.6000 1857.7836 2737.8190 2197.0824 2873.6824 4229.5322 3078.7123 1629860.3570 1759144.7070 1739931.6840 1864813.7700 2146580.7710 1255471.3420 1505862.6900 1979977.8070 2138522.9260 2004224.4270 3023796.5380 3130929.8720 797607.8648 2559087.3420 1194282.9480 1615855.4560 1292825.4750 1632435.1250 133224.7441 949965.8304 3381670.4940 1347585.8300 675779.2961 357194.1464 3695980.2440 1084220.7750 1444720.1700 1173486.7960 2170646.4740 1021280.7640 1087306.1220 2343905.3900 378627.4201 1951348.5470 515039.4876 1005562.0730 1081080.8140 3739240.6410 995368.5978 2210661.6260 3015358.1330 2343302.6550 2344673.3780 1606527.0680 1433822.3780 1543178.5140 549735.1922 1087132.1200 3891077.8550 1606893.6780 1690334.3770 1028027.3110 TG(54:2)>TG(16:0_18:1_20:1)_and_TG(18:0_18:1_18:1)_M+NH3_feature1 TG 54:2 388819.5542 545161.8254 536055.8733 512980.4750 412295.3647 456529.9397 556776.6744 625764.2484 545272.3466 630519.7326 353.8481 952.8029 329.8014 612.8123 516.4019 504.4929 490079.6750 513898.6141 518248.8720 459221.0904 435989.0600 473856.9824 493050.9831 542768.6573 609115.5474 575492.2640 654536.9380 683307.0453 346258.2991 461230.7813 395208.8016 463018.1572 439713.3387 403321.4870 516036.0791 394322.7110 497710.1601 449478.3094 406947.2598 235182.4255 508443.5425 358280.5373 446816.8309 477223.6804 484272.0136 368476.4275 356074.8898 492357.0838 260598.2108 447158.2169 338707.4089 454766.9472 307386.9413 538949.8258 374854.4359 430043.9888 558951.6819 388459.9880 510168.5250 395673.5619 370446.0473 362851.1101 345391.0291 375880.6380 521099.1036 462259.8726 423536.4976 311784.8899 TG(54:2)>TG(16:0_18:1_20:1)_and_TG(18:0_18:1_18:1)_M+NH3_feature2 TG 54:2 4284436.0840 6009588.8520 7213683.1840 5135561.0060 3011052.0140 4002111.0410 7067229.2780 6484791.1350 4234183.3340 6748395.9720 928.7798 2331.6373 249.2718 465.4490 1300.8292 1603.7552 5314717.8050 4988546.4760 4596988.3800 4627171.2830 3935548.0070 4573446.4630 4724168.7320 6109511.0090 3551217.7430 4665239.9260 5748695.5100 7208933.9650 2920198.2770 7487443.8940 3635607.4520 4392459.5720 4324842.2400 2817272.7200 4355131.0470 2614564.8050 7682931.5010 3237721.6000 3459195.3440 1659178.5510 7515859.0300 3819094.6890 4225749.3320 3533841.1650 4003108.8060 3329548.6720 3360886.0560 4890052.4420 1738405.7860 4418285.1990 2252094.0780 3953178.5460 2791763.0960 5820744.1170 2383315.6610 4244197.6060 10890533.8500 3979574.0070 5695954.1750 3974955.2980 4432030.9200 3678350.0900 2920312.6960 2881632.9370 5449858.1040 4015688.5840 2293150.9650 2059039.6230 TG(54:2)>TG(16:0_18:1_20:1)_and_TG(18:0_18:1_18:1)_M+NH3_feature3 TG 54:2 11804889.3900 18252159.0100 26868842.1900 18482454.8900 7419559.8060 15792924.3300 30246147.3800 43422352.3400 22810648.9100 39060870.1300 5558.4235 8673.0163 9300.3392 3313.6549 9408.8845 9129.0321 18209741.9500 18593789.1500 16571268.3300 18283793.2100 17920344.8800 18738987.7800 18307343.4400 17531262.3000 21727887.8100 22521321.1300 28119919.0600 25917215.6400 8818646.8150 40344793.5000 13509760.0400 14516752.7300 12705146.8700 15537125.3000 22920132.6300 7596831.8010 45505025.1800 11773505.3100 9024411.6550 3982608.6340 26748083.8400 9970391.2980 12839414.8900 13144480.2400 20483852.1800 12239855.8900 10466091.3200 19539211.7800 4148190.9540 18066293.9400 5019313.3980 14598968.2200 9819915.5870 26170381.6500 7489976.8700 18690515.1000 38023623.3900 18480979.1300 23826537.6300 13746483.7500 15297542.9400 11221669.2600 8529711.5730 11260267.4500 23907351.4300 17387105.4000 11627078.7300 8482520.2200 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)_feature9 TG 54:3 9964633.1790 18064996.2200 21034200.1500 15525909.5900 5622486.6410 18466180.4500 34847368.0100 55920830.4200 23687016.2300 43219971.7100 2428.7798 7315.8250 6405.2399 4298.0105 5574.6719 4606.3418 31569957.4100 22620256.7700 20827174.4000 14795492.3500 23359296.9400 25885401.2700 24511184.6700 26671979.3600 26430477.5000 33766497.2200 35649977.6300 46078481.9900 8978079.4090 39275182.3800 11543534.4800 21177403.9300 14799518.1300 17433569.6400 27183446.2200 9536218.4950 67345562.7400 16244661.0100 10028536.1800 4297230.9190 23685547.6200 12690236.8000 17593419.8600 13262187.6600 20834993.7900 15106343.1400 13995407.8400 21171748.3800 5315358.3530 15436021.2200 6231758.5310 10752727.6600 12414083.4200 38719784.8900 11417559.8600 25957936.4600 59819645.8100 21702981.5300 18853387.1900 18467023.4300 15855385.0900 12660653.7400 6624919.5680 14448693.0500 31789132.9400 19548640.6600 15131645.4500 8669851.0710 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_feature7 TG 54:3 453994.0849 567684.5632 1057835.8900 502821.3377 145051.0778 738615.8164 1211620.8860 1496837.2650 915743.4986 1151069.6360 590.3937 681.8800 606.3317 614.5485 640.9581 638.5416 745008.6681 711761.0483 736138.0639 710512.8426 688042.4149 762829.6888 718979.1638 730259.9286 637131.5817 578909.6234 617517.2749 640789.8038 366534.3930 1581801.3660 355739.7153 635467.7889 576424.2645 744573.2435 930163.6193 429490.4078 1416511.5400 623630.9714 504972.5195 184596.6760 862509.0139 429703.7073 391443.8287 685567.6777 718536.8716 569025.5316 644540.8397 880610.1296 519025.1361 660781.1055 152936.3618 423831.8864 497666.2757 1144330.1220 573186.3029 1105889.4000 1544414.3600 602129.3288 1046508.1160 754919.9161 408914.9858 497432.0786 379862.0942 529991.9463 703857.0242 613809.5592 515177.2115 546459.0501 TG(54:4)>TG(18:1_18:1_18:2)_and_TG(18:0_18:2_18:2)_M+NH3_feature3 TG 54:4 3101151.9580 2606783.1270 7905366.5750 2418918.4440 1705949.9630 2916803.5070 4846250.3250 5255035.5650 3671734.7590 3522272.8130 990.7539 2266.6522 2302.7099 1112.5614 2194.6635 2215.8332 3567749.3220 3899821.3530 2966404.7020 3375065.9100 3403800.2100 3119821.9960 3794443.2870 3599064.2450 1865883.0080 2323156.2970 2055582.2920 4024225.7520 2762652.9020 7373945.5540 2970252.6060 3356714.6620 3070051.8400 3482232.7940 3866714.0020 2842333.5670 6751524.8140 3440114.8000 3055672.2080 1076268.5500 5147181.2090 2114286.3180 2508623.9000 3774218.5330 3045659.2110 3033237.4110 2798403.2630 3408972.3120 2295011.1750 2490730.9130 1470064.1080 3187922.4860 1950926.3810 4296556.0780 2465904.0280 4064242.1950 6062439.8470 3636809.8020 4368556.2300 4498796.6600 2935836.2660 2051235.0050 1923345.8690 2134172.3990 2308894.7760 2665377.9060 2111778.2540 2125444.5190 TG(54:4)>TG(18:1_18:1_18:2)_and_TG(18:0_18:2_18:2)_M+NH3_feature4 TG 54:4 353319.9541 450832.4933 970595.3958 405253.2753 134306.6377 379720.4431 1121201.2730 1692001.9710 604107.7684 1140874.9790 378.8184 361.8415 357.3618 340.8604 334.8411 335.4773 419162.7806 373544.4543 386227.8584 381427.8147 436040.3656 383534.3682 397061.3423 393416.9882 483543.5290 452143.9603 436839.1324 473347.8561 172025.2508 2192775.0710 293039.8404 369679.5034 291154.1489 442939.6790 575602.5928 139097.0372 1283118.4220 273879.6177 217960.8519 64759.3493 984477.3770 147477.2140 224658.5466 250320.2716 306678.0580 315483.2328 200961.7574 328761.1673 85314.6647 448966.9551 90979.2833 278661.3114 172816.5985 525419.2912 146043.1190 382449.8247 1479332.2930 434709.5801 768598.7523 374073.7768 285125.7337 137516.0905 133520.0078 140098.2637 320652.3866 238409.8317 159549.3252 101548.7358 TG(54:4)>TG(18:1_18:1_18:2)_M+NH3_feature4 TG 18:1_18:1_18:2 40912867.8800 60572929.8000 74984527.3700 45225647.4200 22933693.3400 38398937.4200 88501827.2100 60435263.6800 55112739.0900 100264134.7000 7568.6024 17799.4448 17975.9982 6484.5577 15571.8042 19621.2758 46197537.9500 51889434.9800 50125007.4900 51730044.3800 47761721.6700 50718254.4700 48732909.9200 49143786.3600 58845798.5500 43616439.5900 80426702.8700 73937751.4100 23836850.2600 112782694.7000 36839232.8700 42044717.1500 35143388.8800 37028967.8100 57882247.5200 21337229.4100 104224438.5000 28734462.1800 27953839.5100 11183397.2600 78128351.5300 24799671.2600 35707722.0600 33248587.0500 42752749.7000 30273456.0700 29794923.1600 52622756.2000 12967825.4000 52193398.8100 18090922.3700 42348965.7400 25857719.7100 74592775.7300 23588580.1800 52822755.5600 128309560.3000 45504619.3400 64733556.5300 39292413.8500 39597922.3400 26453794.9600 28002925.5500 32362190.3700 58418330.9100 48009283.2200 29677280.4600 16391229.5000 TG(54:4)_M+NH3_feature6 TG 54:4 1073472.6660 669158.0609 1877675.2480 1190601.0520 564177.2467 1071736.2550 1240432.3050 3026639.5130 1519754.6000 1276953.5060 320.4874 323.3366 416.8983 386.6566 396.4687 406.9134 1003033.6420 1038892.7750 1089823.8220 812479.9101 1219337.9820 812407.8664 1275369.4950 896860.8618 1276007.1740 1522080.2540 1183872.3680 1498320.1330 691871.1404 2003089.9590 875689.5203 1408304.9730 999896.9671 1222066.6610 1508072.8820 600097.8491 2208456.0900 943034.1699 683292.2686 297654.8574 1279038.4880 808449.8867 1044006.4360 958786.1689 1008420.1320 857313.7871 801434.8765 752728.6997 493815.2487 1213852.1100 310711.6326 624168.7640 509693.2751 1094009.7550 667922.7435 1354993.0720 1517871.3130 1283914.0560 1671064.8590 1171173.2580 644546.7887 734947.3979 419127.8717 496577.0170 1287337.7490 573580.6518 558850.2733 607629.7241 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 3815801.9090 4688288.0450 8426452.2090 3941413.3540 1972981.8930 3561960.0090 11658792.7900 14147067.5700 6545227.5850 9892645.5740 550.1292 534.4390 528.3778 538.1641 724.8696 618.3374 4338842.5110 4034848.3070 4452086.4320 4207607.1420 4211850.5940 4317421.1110 4212456.4290 4260044.7220 4888724.6680 5148933.2510 4628058.7210 5186234.3590 2133080.2790 18645716.3900 3171227.5180 3958832.8440 3352945.2610 4440211.4900 5774187.9030 1899062.1140 11720396.7800 3239491.2600 2232118.3760 800061.6676 9101453.1750 1823723.3180 2595904.8180 2802163.5820 3190122.9380 3549377.6220 2288290.7050 3472643.8640 1239738.2060 4691935.9430 1227482.1760 3259673.6380 2087401.7760 5478224.5470 1825282.1100 3916910.7220 9123325.9130 4429242.9720 7203924.8240 4020545.8740 3320042.6870 1847584.2440 1663970.6250 1766513.8160 3282113.5240 2609599.1540 1691790.1700 1189944.7390 TG(54:5)>TG(18:1_18:2_18:2)_M+NH3_feature1 TG 18:1_18:2_18:2 881385.0468 1557960.1800 1769582.5440 1044836.8850 557122.7984 1255175.1180 2686306.3830 2738603.4190 1579498.5720 2442524.8730 570.8942 596.3330 619.8245 584.5572 626.1864 646.0037 1271673.5130 1321234.1880 1321776.6490 1474869.9940 1315367.2630 1380766.4610 1295618.1180 1292048.2830 1408866.9060 1309334.5530 1472470.4690 1564727.4800 1002061.5910 3775546.9410 1052985.2320 1073962.3780 1044329.0230 1340763.3710 1876785.1950 878112.4245 3234525.2310 1465276.9000 1161239.6150 315966.3434 1769962.7440 706259.4411 708782.3593 1423146.1130 1272473.3690 1164592.4790 1350246.1120 1610726.5480 940859.4221 1227494.8660 399625.5270 1267423.3710 777041.2083 2062452.5130 1205265.6930 2422872.9570 4232339.8980 1711033.1910 2050333.1590 1551115.3510 927664.7967 806138.5106 630232.7696 745706.8578 997314.0905 960522.8828 693019.9549 754162.0795 TG(54:5)>TG(18:1_18:2_18:2)_M+NH3_feature4 TG 18:1_18:2_18:2 20220612.7500 35273465.2800 44408732.5600 25972653.5600 9538499.1700 21435865.7300 53906329.4900 54566390.0200 28837520.3800 66356143.8700 3106.9369 4406.4620 6188.7768 845.3265 3617.6042 4649.0680 27377587.1700 27337614.3600 28739239.5800 28573560.4000 26607431.6400 27214607.1600 27126809.6900 28479386.9900 32361938.8700 35389615.9400 53588512.4900 56645126.6000 12015677.3900 86464478.5500 18377077.7400 21345507.1000 15659348.8800 19600055.5900 34229552.8200 8955975.4940 104247531.7000 15300503.3000 12391351.2300 3910364.1860 43488023.4700 11995589.3400 16999617.6300 16599154.4700 22496808.9500 16775735.5100 15704972.1000 28515461.4400 5481948.4420 28520117.8700 7447413.9020 21046921.1300 12476486.3600 44421942.5400 10891409.8300 31624232.7200 94275867.2100 24197229.8000 39497861.6500 20807611.5200 20846225.1600 12598002.6700 12982895.2300 13874147.1700 28196534.9400 24116743.4400 13554983.8300 7101355.5870 TG(54:6)>TG(16:0_16:0_22:6)_M+NH3_feature6 TG 16:0_16:0_22:6 1098994.2850 1557204.8230 2847770.6840 1153686.8680 630029.2244 1337090.6660 3265729.8190 3222443.7280 1984621.4170 2531352.1320 486.7992 1164.6011 1113.0416 440.5783 758.4124 717.6248 958212.2290 1717866.7240 1612669.1990 1543598.2270 1608157.7070 1423292.3590 1376459.3640 1357389.8730 1310103.3280 1208105.7320 1470705.9510 1251959.5780 1141566.7240 4349634.8670 743936.8074 1208415.3740 1337969.5220 1615438.1420 1949554.8090 948937.6160 3235220.4640 1462227.8180 1255728.7070 333400.9340 2224642.8640 769950.1328 449472.4621 1639038.5070 1342793.5130 1984025.8840 1285867.6260 2112619.6260 932748.2308 916106.0577 521558.2383 1440446.4690 859355.8193 2312680.8200 1169667.0030 2110204.8830 3823955.5920 2181746.3060 2408589.8050 1654322.4720 1336197.8460 873148.5834 444950.7988 1142534.7810 1087278.8120 720227.6089 865459.7207 1026948.1960 TG(54:6)>TG(16:0_18:2_20:4)_M+NH3_feature5 TG 16:0_18:2_20:4 2706381.5810 3417487.4180 6514043.8110 2822937.5860 1474869.3090 2679441.0430 6943471.5460 11674093.2900 4461861.9730 6602845.7410 359.7884 353.0107 425.6667 379.9195 392.1952 424.1988 2774807.1810 2987611.1440 2988625.9580 3071540.6200 2794943.3520 3032972.6140 2827576.8490 2920326.4740 4560541.9110 4795696.1260 4145464.0840 4709398.5820 1324508.6100 14621208.9600 2080268.9400 2694739.7950 2258021.8000 2944388.8690 4305086.0900 1230075.4260 8447920.1600 2373062.8560 1363082.7380 531781.4590 6904409.9280 1236439.9310 1822580.6980 1848444.5730 2098727.5850 2395850.5400 1481070.7170 2227865.8740 663878.1056 3416052.0120 754647.4691 2259834.9600 1539008.5270 4087943.1100 1146518.0510 2897959.5630 10082810.6000 2770253.4520 5412830.5390 2848627.5520 2176020.6070 1095104.0250 1095058.0750 1023694.6550 2257374.9350 1603301.9480 1104305.1680 732120.2877 TG(54:6)>TG(18:2/18:2/18:2)_and_TG(18:1_18:2_18:3)_M+NH3_feature1 TG 54:6 15883.1057 30561.9437 32940.4408 55614.0209 4552.1243 36286.5192 54874.8828 118153.5197 26753.1282 113322.8573 209.4965 223.3411 220.4707 306.4062 338.0427 350.2828 30826.6273 34784.0149 21309.1490 24532.5510 43001.9400 29075.1453 27172.5647 30197.3930 40898.9574 69019.7551 88442.5983 119073.4635 9199.8467 117290.3919 15076.7731 23449.6912 15728.6860 16650.8767 57634.4034 7157.6953 253610.1055 10155.1126 8109.7499 3158.4132 21850.7115 10038.1383 28680.0073 15287.7730 25864.8660 11859.6514 25238.0915 32689.7779 5925.9107 27716.5341 4399.0118 31468.9128 12655.8434 78077.8230 10356.2422 55505.4340 246556.4671 23856.7802 39682.8322 23342.7259 31674.9555 19082.4808 17278.3599 15820.3809 35311.0201 25812.4000 10733.5036 12811.6788 TG(54:6)>TG(18:2/18:2/18:2)_and_TG(18:1_18:2_18:3)_M+NH3_feature4 TG 54:6 4828669.7250 9483809.9190 10473132.3900 6629124.4680 2048198.6260 5401260.8850 14901238.0800 14324627.3100 7085488.9310 19343070.7600 2260.2311 3057.1930 2487.0998 2438.7890 2924.1511 2754.8532 6286984.4610 6901874.1780 6963191.9810 6967703.1020 6692891.1580 6613650.0470 6523374.3500 6782103.8360 8354619.7680 8682874.3280 16711165.2200 18182976.4400 2781037.6800 23387662.4200 4183383.1720 4895514.0580 3801718.3360 5021144.8780 9011020.1390 2323301.1740 37847864.3800 3480287.9020 2972235.6530 1043432.6780 10008510.6500 2885038.5030 3959620.2310 4320113.5420 5948321.3540 3820492.0100 4323530.9610 6640307.7230 1445870.2850 7064028.0090 1674887.2490 5367319.9900 3264984.8630 12002882.7900 2997631.3300 9551934.5170 30769756.1400 5792966.5730 10153355.0200 4780361.5770 4532115.6480 2992219.5870 3103315.7050 3281335.9470 7433850.7900 5147393.7860 2958243.9650 1873248.4880 TG(54:6)>TG(18:2/18:2/18:2)_M+NH3_feature3 TG 18:2/18:2/18:2 15374.7146 23212.6467 42864.3006 21275.5248 9129.5210 14386.5684 37319.9237 45335.7306 20782.3064 29883.1375 167.6909 172.8203 182.4668 196.2293 192.6928 207.6287 13549.5086 13021.9420 15177.2746 14933.4336 14875.1322 14526.6018 16148.8213 11578.6049 15373.2589 18631.4228 16433.6832 20425.5463 6538.3943 99337.9187 7600.1499 11161.8443 9276.5884 16343.8720 17398.0035 5907.5557 37634.9100 11137.1357 7007.1367 2165.3440 26110.2457 4049.1928 7979.7106 10430.5481 8818.0787 11389.2433 5654.9872 7885.9228 3667.7437 21221.1768 5786.6360 15147.0755 7189.9210 22276.1141 7426.1459 14278.1490 68576.7441 14523.9816 34865.2707 12601.4550 13259.6606 6408.1669 4909.1023 4955.6291 8912.4197 5671.6624 5476.7545 3353.4888 TG(54:8)_M+NH3_feature1 TG 54:8 44663.9601 110701.9542 110233.4763 61719.4367 24409.4213 42414.4033 105887.5035 61521.2573 69229.9764 121529.6218 495.7855 553.9893 578.9301 452.8040 488.7132 571.1591 47481.0787 56312.0550 51024.0841 48814.1642 53363.6785 49942.6212 50381.4558 51897.2375 57472.7153 46863.0516 81861.4455 77629.0567 24559.1865 245830.7919 39494.1860 43738.1687 36525.6684 36238.7380 52071.7613 17347.0092 113554.6933 31278.2549 27601.5698 8651.8068 86437.5722 20647.7483 31656.1767 28791.1142 28729.8094 40154.3990 25694.8423 35367.6853 13785.1452 72148.3936 12442.8672 59657.1251 27873.8817 74444.5502 23779.9849 52275.9564 160765.9205 49732.7632 112017.0340 45396.0840 40901.4195 20880.7127 25563.9289 19408.7343 29931.4482 25610.0242 15546.1815 15148.9564 TG(55:2)>TG(18:1_18:1_19:0)_M+NH3_feature1 TG 18:1_18:1_19:0 5336.2664 12615.5317 16746.9952 5351.1684 1936.4183 8143.7695 30909.6810 26731.3138 9177.8205 32494.7357 249.3522 245.8827 247.6673 118.9072 121.3534 122.0686 8083.9573 9436.3270 9943.1825 11956.4410 13004.5200 8947.9407 8850.2668 9985.1492 8934.6852 6870.9682 19384.1145 10650.4284 1637.5273 38667.4686 6074.9546 6160.4932 3842.9304 7261.4125 13706.4744 2719.3665 46896.8973 5131.0444 4622.0495 1106.8415 19330.8285 2611.4472 3947.8354 4160.4661 9582.5979 5977.2504 6412.8407 16505.0875 2241.9972 10535.0364 644.2422 7052.7748 3437.3853 21942.0919 2508.0561 13006.9031 43477.3158 9919.3625 13690.9023 6788.4392 6747.1633 3056.4298 3593.9250 6287.9851 18960.5910 11820.4525 4797.5994 3214.6863 TG(55:2)>TG(18:1_18:1_19:0)_M+NH3_feature2 TG 18:1_18:1_19:0 219467.9381 382870.9089 549925.7187 362103.1555 90332.2529 299217.7179 742514.1663 1273618.9040 412121.6711 1057795.0480 419.5443 509.8732 415.7432 458.5654 601.9838 456.4139 303299.8156 334076.4742 341571.4475 398790.4552 380873.3097 391535.4648 359099.4788 266384.9933 385283.8271 442529.9955 594137.8711 649670.2092 151608.9737 908076.0265 224993.4381 133855.9159 234864.4740 317859.7628 533704.2394 163225.3255 1442546.0020 223705.5866 153910.7244 53225.1522 568236.4096 173267.0388 220152.3987 233088.2727 443722.8595 199293.5740 213904.7175 472472.8842 59079.2333 352892.1406 73590.1523 237145.1158 188768.1715 606044.3694 184743.8820 472724.6925 1255873.6400 392742.1882 482356.4044 282958.2964 308819.0566 209291.3873 122565.7850 201529.6619 686565.0026 374287.0789 174997.6331 171796.9256 TG(55:3)>TG(18:1_18:1_19:1)_and_TG(18:1_18:2_19:0)_M+NH3_feature3 TG 55:3 349199.3922 612246.3813 679875.5224 340333.3483 126664.5395 507080.0353 1413159.8750 1706623.0270 286787.2599 1746856.9780 500.5867 604.5113 519.9819 527.3648 534.6707 520.5655 442710.6007 539057.6490 632933.2360 664842.0808 437286.6543 601947.9537 464128.8530 550597.2377 514180.9267 588494.6453 671277.2723 943600.5512 161152.9530 2624018.6190 374022.9621 395501.8471 345202.0826 364029.5299 982424.1214 175229.7401 1823780.4860 190872.7233 232487.5718 62734.3138 620411.0179 98414.1411 413052.1960 295522.2812 643900.4382 133261.8670 312566.2320 555753.9137 94922.7052 622615.4040 112467.0880 300753.8545 189216.8755 1178733.1210 152874.9076 771764.8610 2882486.0950 522472.3879 929701.4448 353440.2031 370030.5410 203313.7685 100613.8314 334986.7743 1126807.0810 637619.0374 276211.2084 155799.8736 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 159871.1955 267537.4371 377043.9006 197759.9526 35128.8511 180266.1226 655041.5940 916972.7320 245339.8659 803492.2287 424.8112 424.2111 432.9549 421.7919 485.1912 443.8316 232053.9560 239392.8963 238012.9956 244388.6614 222530.9655 248561.6402 224222.5035 241793.5324 258161.4920 266605.1322 431355.1868 405823.3324 74875.1334 1119438.4500 127532.5689 160493.6123 132893.3709 188228.7146 347844.1725 57147.1716 1611709.0560 107429.2199 81751.7650 15301.4763 470450.5595 85061.5266 108656.4077 139192.9836 208218.7242 129261.1218 121475.6816 260352.1329 45882.6972 284211.3230 27890.3478 146297.8329 83062.8772 416911.3626 76869.9521 292238.1641 1593695.5730 225233.4051 360869.0017 170878.7518 158192.8782 89793.1927 80496.4170 124767.1388 372144.6943 203513.8733 113804.2768 61736.5589 TG(55:5)>TG(18:2_18:2_19:1)_and_TG(18:1_18:2_19:2)_M+NH3_feature2 TG 55:5 89990.2358 150789.4721 229775.3908 108196.1759 23434.5222 96250.3113 352672.9502 396842.4284 145437.9846 499725.1673 478.9858 493.5329 508.8373 495.2526 523.9719 579.2379 126208.7203 123503.0089 124301.3065 131913.3635 129943.5302 124393.0942 123409.0150 126435.7538 141509.1329 152961.9924 211702.4232 310023.9911 35564.6372 702796.5217 78763.5489 101957.6435 81387.9495 112861.6442 177805.6742 26256.0345 786469.9665 38721.4105 30328.1241 11127.8837 259741.2949 30979.3506 64898.8254 46142.5335 97085.3506 83145.6612 40711.0428 122340.8905 16582.8854 138984.6298 16055.0361 88175.1350 51508.6452 226024.4059 30315.0770 149662.0124 761993.9771 124833.0652 187838.9629 95055.1977 87558.1973 22716.9744 29859.6225 36286.6286 151681.3179 87924.4778 33286.8927 25979.0677 TG(55:5)>TG(18:2_18:2_19:1)_and_TG(18:1_18:2_19:2)_M+NH3_feature3 TG 55:5 35163.1281 47229.6292 70967.7742 43092.6955 26125.0739 41956.9738 55654.5309 46297.5304 78413.9862 90813.7921 481.4026 490.6253 490.6611 422.6238 427.4982 413.8589 53589.8045 54482.1820 51081.1966 50238.5869 50434.7525 50416.6962 55347.3931 52834.8340 76611.7028 58577.3823 72984.7484 60206.7007 18096.1956 57312.5964 53469.7062 38175.3367 37624.8338 70397.6312 68631.3198 39931.1820 24488.1926 52461.9922 30981.8973 15728.6752 53030.6860 23108.5483 46005.6103 30196.4500 39046.4237 38275.7672 32926.5015 87691.6741 15905.6392 54186.3474 24958.1915 34961.1517 23937.0520 60924.3851 28422.1983 56923.6790 14590.3808 47916.0589 67851.1773 60003.4547 33610.0367 33677.3872 14652.2949 19384.5239 58055.9473 44500.5007 33848.2424 18273.7688 TG(55:6)_M+NH3_feature2 TG 55:6 128198.9189 135892.9270 230377.5398 72595.3537 51584.8102 81023.5277 246354.1605 342077.0474 155551.4140 304448.8353 1692.2722 3749.9479 4262.0044 1417.5274 2862.5516 2847.6496 126824.6450 148449.3376 87049.5568 129390.0802 139905.2850 133470.8669 140929.2177 111476.1670 116826.5396 136351.1371 221750.8432 129717.4161 74893.7874 300643.8708 102700.4945 80986.2504 59208.1059 122773.8493 136986.7795 30417.9635 333734.4044 109512.4622 75219.0807 23196.0495 212492.9975 36727.5476 69685.1245 120965.6672 113516.4547 104630.8157 50386.9891 85395.1430 45265.2309 85759.0924 46075.8688 40242.1196 72412.8730 171913.3161 70244.8699 89914.3440 375494.2819 150238.4054 182125.0367 65422.0728 101112.7115 66570.1061 59488.7037 63053.9324 101688.4913 102846.6017 65994.2067 51746.3043 TG(56:1)_M+NH3_feature1 TG 56:1 136901.6197 196945.0516 474588.0807 282235.9670 133055.6348 232795.9863 317094.5290 796258.4716 406406.1478 851843.0793 195.4125 208.3349 199.2363 314.5903 360.4756 348.7198 339598.3221 312779.6587 286068.2440 276112.6764 280955.8572 275064.7135 324693.7096 355307.4169 610126.9566 615428.8262 642160.5614 726603.9379 108564.1981 734496.1854 176705.2259 197886.8093 154138.9020 139430.1587 352803.3654 204004.3072 990502.5525 215866.6247 128717.0677 62969.4400 429954.9550 150397.2409 226560.7141 224634.8657 354629.6776 153514.6082 122079.9249 368358.6680 50790.5082 216426.4995 44210.8707 160499.2482 108877.7629 454417.3138 147034.0074 217373.3709 708943.3044 330538.0707 336395.9183 140104.7241 191137.8348 173259.2238 93700.3988 186929.7659 457235.2604 269091.8820 224234.3294 167695.6850 TG(56:1)_M+NH3_feature2 TG 56:1 46099.3063 108166.1822 121748.6401 117720.9024 45547.1432 75649.8902 182410.6969 353554.8406 120992.4665 284977.1102 342.5853 640.4179 381.7116 336.3565 368.9225 475.6513 106545.8255 100752.8397 113005.0669 100515.8801 104093.0277 106850.9173 104377.5768 105935.0347 86672.8087 76987.0356 148849.9765 121355.0589 52458.5796 209996.9103 64852.0152 60651.7814 75015.3494 75763.7546 165111.2023 59071.5109 437819.6794 63872.6455 64284.9742 18510.6117 153941.3065 50316.7397 55249.3389 78213.3915 132265.3655 52154.9238 60883.7172 143808.8589 27594.9267 111503.8065 33754.0714 59138.4097 49756.2727 163649.8071 53572.9590 136534.6286 301056.9494 138081.4839 122344.8687 73748.2456 70332.3936 64306.6027 37000.1339 55208.5232 163125.4431 95077.5237 74051.6787 62656.6701 TG(56:2)_M+NH3_feature2 TG 56:2 1245520.1580 2056044.6660 2562015.3720 1973934.6880 1113792.3060 1578653.2940 2722024.9050 1424479.0850 2047422.9720 2716726.0710 942.5784 1192.0061 667.6646 551.9629 526.9739 617.0977 2356719.5750 2086590.6100 2103249.4970 1987905.5820 1877423.0870 2033500.1680 2242902.0250 2399465.9190 2918522.2640 3118749.1430 3394935.4380 3451027.6160 643253.4269 3301568.0810 1690690.7190 1704694.2090 1506525.2790 1289353.6250 2208301.9710 1257334.9940 3862682.9360 1193890.3230 1204114.4410 588300.3632 1757576.0030 928047.7515 1776097.1010 1359654.6930 2308829.2650 1361277.9780 1057591.1530 2259456.3410 631268.6751 2041153.1190 731465.6446 1532836.4020 1164816.0220 2461945.4940 1117390.4590 1861097.5040 3316988.5430 1811556.5540 2461116.4230 1621058.9020 1593745.8060 1600166.9590 1045995.4330 1407735.7400 2636369.4700 2068628.1660 1542924.5270 1177189.4270 TG(56:2)_M+NH3_feature3 TG 56:2 371873.3086 998717.4625 1167979.0350 904241.0851 211604.3584 532021.0723 1500011.1730 2331696.8390 870995.4060 3297915.3890 343.3291 362.5177 397.4474 317.9320 540.1988 645.5775 748103.2988 990586.2993 770390.6079 706652.6598 718293.7369 870920.6033 745136.1093 879863.4414 659895.0936 969688.2969 1842637.4920 1478372.7990 294727.8917 2233157.0260 590153.9491 461985.6579 612199.5004 703588.6177 1100112.4860 323276.2880 4287989.8010 424815.2831 355238.8295 112870.3177 1381069.9440 320063.8173 398977.2773 673134.7511 876018.9422 359393.3002 416279.4183 1245436.5410 169339.5468 924933.5521 189409.9246 487160.2290 341474.7581 1474429.1160 329349.4927 1055778.0100 2736546.8730 1058450.5230 1109008.1620 590750.6341 588136.6858 530227.7546 260561.9981 369800.9119 1192554.9180 668124.2078 469791.6833 312462.3118 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_feature2 TG 56:3 1257735.8470 1605974.7050 2271950.0510 1800948.6310 835482.0688 1683861.4820 2393275.7150 2762161.5180 1990801.3380 2581024.4320 1109.6250 1508.9893 3962.9195 593.2838 3125.1907 629.4952 1926806.5990 1868498.5770 1782617.2560 1578037.6670 939629.7776 1776017.9890 2063428.1600 2072790.1770 2644503.2020 3311648.2650 3835007.7570 3499825.8350 904484.3897 2450997.3230 1581339.7060 1814467.2900 1389264.1600 1221794.2250 1971954.0100 1339261.5710 3186469.8680 1431218.5630 991416.3372 687524.6975 2120511.0450 1238422.8000 1709973.5590 1705670.5050 1871357.3770 1158548.6760 1329464.8980 2047183.9690 746658.9259 1546792.2200 929590.8266 1583887.9740 1154791.6010 2139468.0570 1266987.3100 2035075.1010 3033448.2190 1763841.9880 1782527.4920 1494703.3760 1281484.1680 1483992.4180 968419.2179 1454466.6530 2627970.0730 1808741.9920 1671247.7710 1274413.6980 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 1832691.7870 3389018.5220 4326877.7640 3040304.6440 851709.0964 2319452.4200 5434912.7990 5866451.3000 2847981.9930 6763328.3960 1451.6046 990.2985 699.8280 607.9422 1225.1215 1131.6959 2995849.7110 3015497.6920 3285760.6600 3026700.8770 2921961.9700 3111766.3440 2926455.8640 3152634.4590 2624894.7550 2920317.9390 4280357.1480 4483144.0660 1350447.3620 10226314 2096530.1410 2109814.0340 1998889.2820 2221222.8880 3580128.0040 1124035.5390 8849982.2510 1741949.3320 1416089.5170 497942.2178 4209079.5330 1416238.8090 1832471.3170 2085278.4790 3304431.3780 1775551.3250 1703785.5100 3351283.7520 916771.4518 3199402.9370 836544.3380 2307440.8690 1455753.4380 4694566.3450 1065835.8880 3655123.4220 9901355.3900 2924746.6910 4380610.1990 3223216.9440 2717047.4370 1808190.4680 1471555.2300 1753169.2360 4367143.6540 2989092.0850 1921760.4200 1140409.9310 TG(56:3)>TG(18:1_18:1_20:1)_M+NH3_feature3 TG 18:1_18:1_20:1 11479.8039 13361.3812 25587.5157 9138.1720 4445.0672 19233.5927 29782.4666 62714.5398 22035.6401 31519.0281 259.5797 267.6362 263.3775 158.3861 168.0620 165.0609 14240.5624 12069.3468 15365.1058 14372.6140 12788.7676 14460.6632 14066.5856 13518.2968 17886.9205 8078.4592 19673.7535 7950.7618 9183.7641 48744.8030 12063.1406 14207.7428 12271.1159 23368.3238 24163.7647 8152.9791 28334.8331 12612.8382 8800.3277 4101.0662 27273.1629 9603.9775 8794.9767 13564.4295 13502.4076 27686.9418 11171.1494 21514.1048 6418.2320 18209.4540 4871.3433 8495.8433 6113.3132 18073.3971 7554.6208 15102.5574 47652.6091 17188.8745 55174.8362 46337.1646 10681.3375 8675.3851 5557.4581 14003.1244 16687.4653 17153.7869 7591.8691 8862.8428 TG(56:4)>TG(18:0_18:0_20:4)_M+NH3_feature6 TG 18:0_18:0_20:4 86837.6556 166063.7086 289215.5523 147516.1361 80622.7469 183077.3882 197771.9153 487838.6793 127876.8265 267018.7031 332.5440 348.4955 388.5217 285.5723 310.8333 306.2699 175085.5218 194032.4324 221767.1547 207045.4176 203236.3306 208911.6793 193613.3426 186285.9982 230515.8009 207681.4485 261341.3307 232154.2920 134146.6744 259847.5758 163085.9364 206966.9318 192104.5162 211602.3827 309475.6435 150113.7759 329035.4105 169053.8946 169193.9296 61700.0835 190034.5241 148622.8882 159972.5005 198764.9540 262129.1258 212446.6505 174720.0998 275975.6086 128590.1020 203986.2040 84060.9006 217684.7880 133421.8965 249924.7980 174323.0713 243806.2372 250952.7066 218200.6918 209771.4598 214735.4722 177068.5318 155854.1263 108478.7505 162046.5375 232224.2138 205060.1574 130638.0870 188333.9315 TG(56:4)>TG(18:1_18:2_20:1)_and_TG(18:1_18:1_20:2)_M+NH3_feature1 TG 56:4 1928716.0050 2834388.1680 2924921.8320 2456055.5500 1645528.0950 2078243.6210 3142185.1130 2760678.2630 2344304.3790 3069184.2460 288.9914 2638.5667 1759.5507 473.9473 1408.0038 1226.1096 2720643.9300 2603835.0190 2398873.5070 2299778.5780 2236648.1160 2461842.1020 2424577.6660 2974142.5700 2864597.2460 3229890.3030 3740660.2740 3903736.5050 1903106.1130 2432184.4540 2019038.6210 2410712.4520 2019047.0160 1558860.6740 2591876.0090 1488770.7380 3240050.9840 1583959.6670 2143801.3710 1177195.4820 2811003.3340 1752482.1230 2509710.3280 1991767.3380 2227459.5810 1503316.6600 1668923.1370 2902549.2770 1509816.6670 2373805.6900 1625258.1870 1977483.2630 1664574.4930 3035899.8910 1504548.0010 2238948.7800 3710424.9180 2093426.8380 2516275.9080 2039878.6490 1957390.1750 2007304.8300 2378632.5450 1907082.2940 2954467.6210 2550126.6770 2178372.5140 1494474.5000 TG(56:4)>TG(18:1_18:2_20:1)_and_TG(18:1_18:1_20:2)_M+NH3_feature2 TG 56:4 400206.5822 478492.7060 683158.3152 600896.0534 241010.4536 540353.2363 855117.6761 1105825.3490 615046.7391 1082752.1340 239.9934 307.6627 321.5681 385.1628 388.0975 399.2185 718892.3481 650222.1888 656922.4918 622604.4207 584643.1664 712563.8937 642576.2287 725516.1389 1071747.2650 1198126.4930 1315219.2740 1402180.2170 20453.4972 851162.6811 392844.9640 594522.3803 391081.3023 505077.6159 717858.8260 335546.6820 1229594.2440 378283.0161 293132.2861 13985.5957 586756.6575 359693.8433 537358.5639 569924.6492 734573.6468 361252.8105 383148.2946 777313.5880 17504.7427 451860.8137 27715.4620 438923.5701 337369.0687 635296.5919 391134.0524 686369.4369 1096845.6790 569383.0793 783156.5614 406720.0246 558606.8910 348684.5780 25541.1713 431726.7951 844465.8743 616799.0983 437427.3515 297402.9184 TG(56:4)>TG(18:1_18:2_20:1)_and_TG(18:1_18:1_20:2)_M+NH3_feature3 TG 56:4 98328.1049 96940.9851 241479.8577 84751.6405 34928.7851 122018.4247 266894.2737 394696.0917 156996.2884 266937.0059 338.5984 342.9343 345.2655 268.9652 280.9736 280.5866 128372.3472 126229.1936 130581.8014 117182.9850 124663.9092 135590.0394 130826.3930 121906.8716 106456.7802 123220.3695 138663.6465 140887.6160 62676.9429 533720.4991 82323.7366 137690.5428 85620.2179 147527.5027 182703.7426 45485.9997 293340.5776 89879.1671 71289.4023 24055.1941 244135.5599 71145.4206 66572.5478 95259.0599 108392.4151 91087.8238 100087.7121 138757.4736 48877.7717 135948.5865 35045.3239 106204.7391 67854.4386 197696.7377 67708.5964 152635.2094 325839.7296 155387.9096 173815.9241 106740.3321 97255.3116 69555.4130 58554.8662 73051.9388 163228.0312 127074.3015 79279.3938 59671.7473 TG(56:4)>TG(18:1_18:2_20:1)_and_TG(18:1_18:1_20:2)_M+NH3_feature4 TG 56:4 2243295.5880 3502609.1900 4991890.5980 3592824.0480 1241583.6520 2600728.3430 5349757.4450 5347811.2150 2892168.1550 7429922.5170 481.1217 578.5865 550.6485 514.1713 454.8482 459.5637 3385641.8880 4010710.0370 3687845.5340 3517984.5770 3636811.4870 3665491.7600 3622132.3100 3682192.1510 4068181.1870 3990634.6720 7497970.9800 6169176.4190 1484112.7530 8261465.8320 2616939.9700 2872282.5370 2004230.0680 2634433.8590 3804999.1870 1381181.3760 9577639.7890 2582317.9210 1752772.9920 585350.1950 5204678.0040 1663756.5190 2651951.1000 2337121.1970 3978952.1070 2026420.1040 2448968.0500 3877065.7430 1119534.6730 3981479.7610 1002429.8330 2769278.5410 1671020.9850 5000691.0740 1754974.5090 4486072.0250 10977277.3200 3366081.2130 4420921.1580 3188728.6680 2963206.2210 2349255.6310 1965687.5280 2288522.9830 4727757.0100 3631430.0310 2367069.3060 1167908.6090 TG(56:5)>TG(16:0_18:1_22:4)_M+NH3_feature1 TG 16:0_18:1_22:4 1598550.1140 2527512.8040 2475261.8830 2122297.1250 905788.7641 1867325.4810 2060319.0420 3025366.4530 2087121.0880 2675433.4640 729.1537 1628.1360 1864.7150 1173.2652 2397.2849 2413.2531 2650307.3420 2507440.4420 2434319.3370 2155795.7830 2188791.4550 2227991.5170 2589504.6580 2833842.5530 2762912.8490 3454313.3360 4027679.0460 4824572.6230 1113514.6100 3268886.9120 1512782.1420 2099714.9750 1378578.6360 1498979.7990 2572930.0630 1144474.4020 4468957.4050 1344564.2560 1172879.8220 472112.9336 1720147.6640 1464437.1450 2091596.3000 1608924.8750 1858166.5820 1368205.6340 1428697.4590 2373384.6430 632510.5968 1968073.5240 648567.2477 1751181.9730 1117800.6480 2678173.9180 1106923.5690 2299862.4240 4468798.5660 1163682.3910 2610096.7110 1725316.5350 1814347.5600 1387776.5260 1251029.1370 1337355.8690 2199023.7670 2036727.1570 1429721.8830 1016628.0240 TG(56:5)>TG(16:0_18:1_22:4)_M+NH3_feature3 TG 16:0_18:1_22:4 1035024.2560 1507447.9270 1775181.9840 1503234.3930 756225.4925 1126370.9790 2783773.9060 2114206.7040 1581368.1450 4627165.9870 550.9483 599.1553 543.2186 366.9076 370.2870 351.3990 1549645.6200 1563374.6820 1814737.8190 2043791.4070 1525995.2280 1524507.4050 1704563.9200 1689332.8920 3008837.8140 2170429.4520 4162085.7570 3146321.4140 898368.4235 2453393.6250 135472.0501 1109326.4800 884386.0919 1342780.1610 1230530.1310 964064.5012 6436178.8070 1346381.9690 1260108.5710 348443.2869 1633458.2560 504956.1893 1215930.0070 972874.8710 2132293.8220 933561.8088 1303920.5380 2927779.1490 676430.1739 1074946.7310 649266.1648 1739969.1200 891403.3221 2011304.8080 950669.7856 2602672.8370 4350188.5270 1254913.9350 1521986.4130 1133398.4330 967193.7266 879933.9322 1017168.5800 1231321.5670 2350169.0060 2172921.1610 1014109.9040 597913.0737 TG(56:5)>TG(16:0_18:1_22:4)_M+NH3_feature5 TG 16:0_18:1_22:4 1440074.6810 1560838.2440 2870185.1630 1428760.2390 608289.5999 1583721.9700 3310436.2140 4725791.9800 2278711.2170 3143301.3150 404.7637 410.3453 414.6436 370.1115 382.2869 408.7246 1687635.8050 1682908.1160 1831070.2100 1795690.0580 1826828.6920 1857651.4560 1714384.0430 1663988.7760 1922336.3040 1921339.5930 2229878.2480 2118491.2100 600277.0279 5641611.1850 1385729.2710 1748470.2310 1014895.6510 1780852.6230 2416259.6810 864158.8493 3328225.4830 1442649.1830 1094243.5690 410244.7007 2867250.9110 1015104.6290 1217305.6250 1474298.4270 1663718.3960 1185655.3290 1250072.3260 1973239.9380 781702.6057 1953918.1850 570550.7498 1396560.4230 987179.7336 2653166.5380 1107759.8840 2070976.2190 3991195.2120 2086278.5140 2445846.4480 1625239.9730 1434809.8930 1012096.2080 831011.3023 1075341.5650 1945326.0450 1446509.6600 1142729.9850 929573.9789 TG(56:6)>TG(18:0_16:0_22:6)_M+NH3_feature5 TG 16:0_18:0_22:6 453213.9277 589147.3181 1095841.4770 491518.5859 148584.3207 740757.6772 1353646.0350 1537198.3890 925394.0603 1169578.3650 710.7696 709.5924 724.0416 682.0076 708.8455 706.0330 730134.3247 734369.5806 757280.2378 732712.6880 721007.8579 803439.0470 719525.4037 723874.1230 609558.1350 561868.9718 604638.2496 634829.4193 401750.9330 1608847.9260 386903.6404 644336.5995 627205.8140 762984.7268 951037.2990 434989.1847 1439217.3250 636562.1902 562833.3357 176018.7829 904194.0582 447441.2388 397398.8348 758780.7225 765607.9097 607418.4261 664546.3825 928669.6504 557157.4907 674960.8811 142613.3567 444307.6253 500473.2711 1189478.3340 601703.8061 1160744.4190 1534779.6810 658256.3990 1102327.2850 810918.6473 421362.8002 508541.1926 378293.4384 567743.3325 722113.7955 671918.1951 535884.7849 553146.3238 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 3259710.1930 4538888.8620 6475867.9850 5262684.4640 1389629.8280 4237294.0890 12490192.5900 15106823.3400 5686697.4930 13340804.1100 407.3646 421.2658 435.9192 566.4027 602.2589 588.3706 5310338.8360 4011759.2220 4783750.2280 4073232.5010 4429144.9580 4421187.0730 4870678.6450 4847884.4160 3411505.8370 5451239.0870 4437875.5490 6264869.0050 2033193.7060 20871265.4300 4202030.8860 4517030.7780 2892777.8340 4516382.9240 8066361.0820 1639789.9970 12397954.5500 4681794.8510 3598298.7480 864072.3762 10638280.1100 1955437.8570 2742527.9120 3027181.9700 4480039.6190 3279552.9570 2669518.7390 5193867.5700 1330607.0520 4703831.4450 1089272.3560 2808719.4490 1980992.3630 6622058.9740 2068373.7590 4864070.3610 22701937.5400 5924679.1500 6875032.8280 4457131.0530 3406690.8700 2225126.1960 2130849.9800 2603515.8610 4799858.2690 3755952.2930 2026420.8680 1807952.8530 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_feature4 TG 56:6 733368.8392 201719.0746 1519553.6300 772622.2422 525458.7919 945728.8646 2205263.8930 2845896.9060 1547297.1840 1672053.8980 896.4320 926.7710 932.0837 781.6986 793.5239 768.1361 883721.7606 1204851.4170 1190000.0160 1200886.6330 1055088.5710 1113537.6980 1062259.4970 1073238.6550 1586657.0750 1427804.8930 1488850.6530 1204305.0900 672836.1213 776357.6251 298905.2787 1013328.0900 717619.5412 1098709.2490 1480052.0970 729772.4793 2091782.8200 771818.0608 839015.9639 267217.5633 1654101.4880 724815.6523 910184.7188 772321.9171 1111892.2070 938070.2078 912863.9924 1325279.2550 557630.2828 223472.9943 384020.4868 950139.2437 628660.4061 1339873.4840 733441.4485 1276515.2840 586005.6591 1390367.3400 1423454.6430 1179722.6960 1005346.8390 501388.1368 604017.0418 664669.4124 1044749.6500 959857.8956 648246.9187 454312.8254 TG(56:7)>TG(16:0_18:1_22:6)_M+NH3_feature6 TG 16:0_18:1_22:6 1774523.8540 2676839.1760 4471915.1650 1907452.8160 1390243.5910 2392651.3090 4795059.1940 4272755.9010 2962746.4030 3372090.4260 742.9986 1670.0268 1629.9648 656.9491 1329.1338 1350.6570 2820955.2750 2680002.2360 2751934.6860 2836288.2030 2697664.3840 2530998.2810 2940518.2260 2739716.6050 1950070.9040 2054201.1040 2250297.1600 2025828.3930 2408048.9220 5448009.9370 2507989.8720 2647275.2090 2510012.6740 2718202.5530 3316277.2440 2058956.1740 4556230.7560 2874435.0540 2901588.8380 887197.7603 3976111.3200 1956519.0540 1499199.6810 3234546.1460 2650439.6780 2771349.0620 2469998.9540 3622460.4690 2202108.3140 2495061.3480 1339374.2910 2558782.0870 1637886.4420 4072414.3560 2123565.9010 3936913 5584449.8510 3713957.6440 3783897.0500 3856590.3190 2338667.3410 1810628.9910 1654499.9790 1899843.3270 1894512.9650 2381660.7960 1730949.5270 1702607.3760 TG(56:7)_M+NH3_feature1 TG 56:7 35514.4797 53686.8637 75310.0031 39197.7170 24740.0133 91604.8653 123281.1935 102885.0301 90661.2146 91060.0022 99.3577 104.9337 106.9438 114.4309 121.2547 123.4403 63018.9132 70189.4408 68900.8539 79919.0122 72708.3653 71630.5693 56328.0162 72786.1794 48366.5812 53583.2173 40432.5262 34071.5439 75622.0057 63823.9366 63578.3959 54360.7885 64821.3656 94732.3687 103298.4994 60516.6308 115238.0315 111484.4045 83974.9367 22410.9621 55614.5740 43020.9127 32802.7588 109025.0454 71780.5270 80629.0430 106076.3103 117784.1607 76937.0050 53282.2546 21329.4168 66668.8185 46873.8390 125683.0805 105441.8704 192802.8123 37046.8905 119341.9343 87365.9639 113736.5457 57827.6799 61843.8026 32309.1749 49006.2840 62395.2623 58700.3803 54013.0146 60320.6080 TG(56:7)_M+NH3_feature2 TG 56:7 55511.2747 87729.6078 122758.8588 54277.0071 20928.1308 49101.9760 153153.1736 199020.5851 92125.4867 120855.7900 453.3987 507.5986 486.9740 395.6663 360.3181 363.7011 54044.7548 57926.8867 57905.4288 64773.1409 67765.2478 62596.6576 67342.8347 48082.9265 95880.0053 88679.1090 123495.2781 104519.9061 21443.3072 348015.3568 36133.1414 61041.0326 40655.6428 55593.7887 98886.9781 29846.2906 169634.1732 35766.9600 26755.1377 10759.7311 114108.7797 34739.2749 35757.8692 51098.9130 56261.0208 50368.3847 47619.9353 53261.3589 11799.0513 59434.0763 19146.6744 51779.3158 26586.0261 87497.5810 30739.4521 71999.5164 314064.8866 62051.6660 93699.3720 62670.1789 31706.3868 24583.2225 20920.1519 23673.2954 49264.4450 47533.0844 26150.7968 13925.0213 TG(56:7)_M+NH3_feature5 TG 56:7 2571220.7640 3482512.2290 6643427.4540 2875483.9500 935363.8440 3188169.5730 7769246.1370 9736981.3680 4787436.4050 8028335.5100 360.0440 363.7019 365.6055 375.9379 388.0113 419.5938 3155585.6960 3304109.7850 2943909.0180 3487070.0350 3036441.2140 3325958.5250 3111428.9960 3196459.4190 4635591.8350 4533495.8720 4983569.9320 5303542.5230 1512772.0910 12580054.5600 2343293.1180 2685760.7940 2317228.9980 3058011.8640 5013051.4210 1187707.4720 10406006.6600 2212750.4400 1936598.0500 500347.9996 6668424.1680 1391177.6450 1960440.8620 2445083.0140 2702398.8440 2393110.8910 2061078.5490 3496360.6360 1072283.5080 4008930.9180 705554.8159 2351779.6170 1605485.7600 4719677.1180 1584123.3910 4239031.1900 13536027.0300 3037192.1200 4817710.3560 2901616.2220 2301564.0270 1318148.2170 1122916.5160 1429935.4010 2455553.8820 2304027.1070 1254856 1004400.2400 TG(56:8)>TG(16:0_18:2_22:6)_M+NH3_feature4 TG 16:0_18:2_22:6 795694.1500 1237469.0750 1704781.8930 969911.1104 448281.7078 1202561.9680 2355422.4110 2353427.2930 1460329.0670 2096269.0900 311.8625 325.6535 338.3725 316.3770 334.6305 344.5922 1150876.3560 1218549.9450 1239322.5550 1307680.8730 1237269.6390 1286764.4170 1139969.1200 1203212.2690 1059886.8830 1058470.7020 1086910.5380 1209477.7140 960453.5666 3032077.2530 941530.0270 1008472.2930 930968.4400 1287309.8230 1658512.2380 836395.9084 2669697.0470 1350925.6180 1094338.4750 295593.6617 1533348.6010 676432.3509 664325.0839 1372767.3770 1216810.5430 1117166.0440 1317395.2200 1564902.8800 910444.6119 1166763.9110 381308.8697 1078640.8010 734895.8845 1967554.6160 1165086.5030 2318669.5950 3430615.6710 1644330.0580 1751380.3920 1495891.4540 868993.2376 770244.6863 572041.8396 722063.6016 882834.6957 922979.9476 662039.0917 716999.3802 TG(56:8)>TG(18:2_18:2_20:4)_M+NH3_feature2 TG 18:2_18:2_20:4 547132.4088 896159.4397 861382.1806 713911.6843 281707.6089 623869.7648 1598169.6550 1975160.2470 966373.9753 1698171.0280 408.5134 919.9946 443.8533 1002.1473 463.2532 464.2705 665723.9298 646265.2845 704727.4559 689843.8775 472331.6787 583523.0339 709754.3370 702986.2649 914895.8449 1125497.2260 1212128.2180 1397939.6250 287782.7856 3694735.7000 458190.3752 660618.1042 454827.5647 590375.6756 668852.4033 286292.0227 2539215.1900 483162.9645 339232.5173 128171.2897 1514746.2080 312817.2799 283660.6447 504710.9770 560584.9069 339561.8379 446817.2473 619486.6974 208515.1017 806251.0886 191542.3850 597848.5628 357555.6986 1050844.4570 365034.2405 867266.7364 3158966.6040 758751.5410 1161620.0910 582367.7926 489849.4978 315959.8387 264464.8416 275740.8134 560426.4151 430902.0798 268603.5906 186119.1493 TG(57:3)_M+NH3_feature2 TG 57:3 14711.4827 43234.4607 53315.8557 27202.4960 5213.8839 29893.0029 113735.4256 101351.9738 35903.1652 161820.2300 417.2708 426.2757 414.6298 498.5218 523.8230 497.3010 40144.3423 38046.6335 36730.3832 36644.9786 37578.8514 40575.9658 35373.6669 40277.5086 44450.3011 39827.0296 91997.4033 108914.2898 11861.5611 75375.1100 15841.9181 21152.1042 22616.9603 23580.8161 83431.5324 12448.3969 258699.2810 20514.4686 16252.9765 3043.1649 50781.9832 14208.1737 19625.0523 21987.3855 72692.3191 11644.5637 22922.8216 73144.9206 10190.0011 35189.4460 7077.6282 18453.5171 16685.8505 61878.2130 16985.3690 62868.5971 212690.6739 58881.9161 40441.6868 21961.1330 23145.4514 22185.2615 7302.1909 20019.8464 68588.1933 42308.6642 25160.4509 14536.0847 TG(58:10)_M+NH3_feature2 TG 58:10 161367.5061 242516.2258 276143.9342 174087.0588 102808.6998 319034.1136 515516.8258 491193.6491 379045.5413 410213.9159 297.1121 316.0142 310.7832 333.7795 366.4704 377.8979 260322.3265 271736.5519 259786.0793 283588.2125 251861.8576 275515.0971 265185.4455 263172.1547 228372.5687 239167.0307 264801.9429 259175.9816 241732.0707 523608.2754 241864.2134 284325.4049 220664.4949 280566.6674 441505.9944 204754.0093 547936.9755 323784.6693 335739.0966 94884.2594 339257.2616 197023.2700 192242.4538 375100.7584 285276.1035 304883.8066 369387.5203 381109.4745 302012.3127 289031.6335 122118.9209 266342.3083 185164.3333 393197.4071 327959.4082 617083.0199 632433.6368 408211.6295 327281.2925 358891.5483 189126.1558 173630.5812 143656.0723 194032.3615 216136.4927 227754.1091 146216.1061 174896.4669 TG(58:10)_M+NH3_feature3 TG 58:10 67067.3676 99692.2212 131931.4650 68280.2121 47155.4906 91438.1225 172193.9668 235708.2659 137860.7064 160736.1835 293.9022 301.7729 319.0109 312.1514 307.0793 333.3584 91175.0087 91554.2650 93469.8627 91495.7674 95513.5126 86494.6485 83862.8160 98974.5310 112565.0551 116440.1984 87022.2214 90522.4615 59662.6755 259848.4722 68886.5556 95083.5653 77298.5826 107602.8277 132358.4273 69666.2504 206802.1189 89325.8101 96964.0007 28914.4146 153699.2254 59943.9398 59683.2610 93613.7092 97132.1049 123560.9257 80504.7733 133861.5518 70860.9556 117993.4988 30159.0452 77060.2549 57273.8977 118395.8265 67739.9301 114239.0852 252440.0545 121621.8409 109497.5939 102427.4533 61801.0475 49439.9527 49379.4605 51209.6242 54938.2265 64928.4971 50300.4535 52880.0318 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 18267.1378 39287.3153 43949.1461 38939.7700 10681.4675 28400.8955 69707.1455 119054.0984 48596.3777 92787.2439 513.2749 495.0920 447.8905 369.2368 1016.5034 498.9179 38776.1155 38885.6390 39912.3597 39501.2638 40860.0621 39686.0786 39593.2405 38313.5270 22000.0428 19315.3319 36115.4509 28487.9571 20945.6486 67429.4398 24503.8160 23342.2904 28218.3216 28861.2930 48315.8572 23671.7338 153657.2919 23820.0532 20727.0944 7035.3330 50836.7658 21243.3886 19208.0128 31479.7475 43465.3221 21665.8514 24597.0108 43795.1731 11743.1993 45294.8091 11804.8757 23269.4486 20229.0462 61555.0586 23450.1630 51957.8717 97467.7020 54751.8883 40976.4224 28389.0882 30074.9266 23615.8831 17777.1553 19398.3351 50028.8495 35477.6438 28930.2590 20362.3860 TG(58:2)_M+NH3_feature1 TG 58:2 43840.5004 83611.4782 147163.2811 109679.2989 42080.9091 64021.6062 174685.0096 120356.2931 98172.4395 301516.5217 227.2223 250.2098 246.9295 424.2977 476.0139 461.6718 105413.0218 93356.1303 89382.6804 93382.7644 87574.1595 96301.5908 93080.3709 108178.5944 138296.0050 160968.1324 201665.1980 258327.5295 35110.9939 196029.6337 63443.4373 63673.0241 47786.4483 15191.3710 47762.6694 51680.0087 246394.7086 70613.7862 44149.8802 21497.9994 146488.8021 46482.8148 65857.4227 67981.2498 103399.8752 46427.0481 43437.9843 128372.3378 21633.2165 94521.6865 23734.0089 48558.1295 37874.4032 80265.0948 39641.5894 40647.7358 257585.9459 91045.2430 136541.0770 73365.6058 68573.8708 77601.8519 42353.3211 59497.2022 136708.2821 89657.9640 66255.4258 47936.7640 TG(58:2)_M+NH3_feature2 TG 58:2 68688.1316 168644.0513 188503.3548 145308.4420 64503.9639 103038.1396 296879.7033 422900.0649 151178.5388 388592.6755 447.9352 453.0834 440.2550 321.8849 378.8087 529.4394 127109.5752 141738.4716 174468.9887 152381.7115 145375.8778 158419.2476 138125.5693 142182.9707 129201.5908 81160.6347 150587.5787 157646.1164 64369.2201 293878.0606 106511.0924 81456.8336 104841.2605 102919.7230 182958.9866 80492.9075 724462.2436 74188.1177 92228.4811 22871.2299 202403.1564 62518.4930 65012.9467 118857.4760 199234.1004 81995.0334 89526.2913 213192.3838 50018.9883 167772.9159 54290.5991 94408.5268 75266.9089 229343.1171 77988.4860 172469.8659 322468.2853 160380.8770 170587.9387 119945.5359 99552.7315 78799.1111 52915.4877 70275.8717 211166.3405 120680.0425 100139.0567 65697.9942 TG(58:3)>TG(18:1_20:1_20:1)_and_TG(18:1_18:1_22:1)_M+NH3_feature2 TG 58:3 120117.0081 313480.1686 389756.3092 255260.0281 84257.5550 157389.7995 546822.7578 755520.6664 245859.7330 792657.2476 421.9898 1288.3852 451.7209 392.4987 2295.4571 533.8321 251319.9209 255877.9418 244641.8009 228773.9249 241903.4159 259279.7280 239179.5899 254170.9119 180082.7872 165295.4436 390579.0241 357453.0705 97579.1344 612277.1421 162670.4323 138969.1244 164143.0304 192986.3655 362181.2563 103546.6979 1671901.5780 140957.7300 127348.2522 21272.1508 409229.3796 102953.5765 113485.6373 171661.5947 348564.0276 121591.2278 145268.7881 316190.8023 57301.0520 276764.6320 46652.6787 151319.2539 95269.3642 392874.3002 112692.5321 359017.9648 837570.6356 304868.1998 297110.1021 175583.2287 173559.9128 139053.6658 92406.4356 106160.4033 384936.8355 196149.8726 137540.2422 96091.9848 TG(58:4)_M+NH3_feature2 TG 58:4 116706.4697 200627.4056 119132.4474 134236.3884 128045.2205 125621.5347 118823.5714 143256.7429 148418.5411 171100.1916 384.3827 377.8271 391.4912 441.9831 454.9592 460.2857 120326.2221 152853.4203 99559.5523 92741.3478 110114.7270 106307.3558 141922.0019 125286.5696 137042.1679 190818.9399 340851.6394 268790.2245 123254.4196 96297.8386 177474.7661 59886.1030 71602.0562 117072.5907 145859.4636 150391.6623 105661.7734 151372.7657 84924.7220 30915.2028 152896.7102 117645.5238 104811.2868 146406.9048 226649.1123 105194.4823 170128.4816 204501.2056 128841.6754 173250.6832 117469.2946 158251.1380 70451.6334 150193.0643 154102.7720 188327.5748 117931.5551 87978.7995 97729.9251 119625.9078 127488.6625 160996.6399 152854.1808 96802.4581 112282.8055 200054.5305 94699.9633 101649.1576 TG(58:4)_M+NH3_feature5 TG 58:4 192625.1261 393611.1846 431329.7825 342856.4415 116072.1654 263816.5885 594149.5994 526241.4762 322133.4797 668516.1403 376.5886 390.7188 401.9616 390.9189 427.5201 416.9533 346663.2311 340047.3835 358875.6501 345692.3092 336065.3832 358041.2880 346124.1123 344037.2507 314546.9913 350711.0589 476108.7380 489547.7654 175110.7755 634129.9281 239376.4590 270270.9534 237950.2699 268280.9730 405636.6822 162123.5617 880306.4064 238818.5300 182598.0847 67942.9798 477575.7031 173961.7447 204296.4619 257388.6743 398975.6357 218904.0980 239774.7465 409364.2265 136445.4903 371606.6530 102520.1719 273224.7867 171058.9852 490186.7563 178740.4387 447641.5159 1224764.6970 330517.1402 451235.4290 257138.2271 279142.6298 217486.2250 172825.9208 213080.2830 469881.2051 359403.2176 219071.1228 165799.7436 TG(58:5)_M+NH3_feature4 TG 58:5 145097.1931 155372.4846 348180.9071 204533.1382 120105.4858 180305.3290 326371.6358 399368.2927 273843.5860 251662.6072 253.2143 258.9663 263.2867 447.1815 473.7772 479.9013 247818.2222 231483.5731 207766.7208 201709.1816 203363.4842 228391.7937 218206.4838 262484.1966 306054.8644 335582.0312 280962.3385 316315.3301 131534.6642 278936.3192 165522.8624 204488.9189 172908.2903 172660.4544 269045.8711 132396.7772 231456.5583 180897.5882 146041.0661 75155.9745 285737.2740 149916.4752 160660.5775 211041.2681 211971.3546 133841.5404 147697.5463 218240.1951 105301.5909 173869.6892 79471.6477 178863.9086 140809.3180 217065.0375 96660.0795 108275.1796 189923.5764 223030.8495 235920.1909 181007.7409 154695.2673 143567.6818 117647.1983 142068.5842 112125.5281 155986.2360 168743.9922 139593.9910 TG(58:5)_M+NH3_feature5 TG 58:5 324652.4553 409636.8160 691477.2863 396110.4462 67755.7389 536919.8051 1009570.9290 1317696.3880 612213.5380 1097596.3960 403.4353 419.7212 416.7560 422.9909 443.0638 440.9590 392600.5876 496842.3028 392327.0036 378664.4048 464046.9520 404060.3861 485573.3841 387389.0971 410174.5307 357182.2726 462218.3701 425513.7293 280659.9103 1267827.1380 340942.0133 373115.8684 417508.4030 380273.1420 710991.0999 257239.0783 1186747.8600 316937.9298 286579.9857 103550.2203 897007.6261 333003.9749 381944.0112 304020.8142 404414.5565 314631.6094 408229.5155 527617.9110 171368.4343 570175.6128 162263.8278 290393.3468 201359.1849 590561.2004 231164.9568 455525.8792 1531891.1750 424079.0309 621820.6986 436295.0641 308790.3671 262931.3646 177951.1965 278255.4453 699991.8163 473660.7818 294226.4252 125772.1790 TG(58:5)_M+NH3_feature6 TG 58:5 13165.7468 19677.0370 136368.9027 36748.7497 53163.9810 150463.6507 36127.6628 6250.3966 120831.4596 29234.1293 425.5810 447.1608 454.4893 476.5545 520.6777 514.9817 91139.0639 138239.9823 158506.4474 135954.0339 94893.9648 121838.6321 28317.6222 125544.8125 119247.3657 101559.7869 109578.9802 110162.6205 67859.7737 49416.0231 115452.3108 104300.4493 17661.3655 99960.9019 199714.5258 90798.4776 43319.0261 105384.1919 106192.0752 45731.7939 22126.7713 8997.4847 15583.4990 143345.8352 168887.4354 27548.9873 18400.0212 142557.1269 61802.0761 13358.6497 52795.7524 81006.4827 71849.7717 211388.5832 130320.7201 224721.3811 17257.0591 157359.4319 23093.5810 102626.8562 111385.9601 83223.2722 59534.8288 81298.1178 183095.1785 183969.7992 121665.4685 181942.9829 TG(58:6)>TG(18:0_18:0_22:6)_M+NH3_feature7 TG 18:0_18:0_22:6 85600.5105 121758.0157 180671.3350 102701.4620 51302.5793 177194.0945 249750.9316 268290.9159 168418.9839 195155.9642 631.0333 647.8095 652.4085 685.5354 709.6796 715.4426 138550.7747 147701.1077 167893.7017 151147.9667 143015.0239 149826.1158 141272.7660 152675.7848 95997.4312 108055.1514 109044.8516 126141.8704 125279.3515 180784.4505 133198.5660 151229.6310 143611.2295 160005.1442 223871.5306 95934.0572 225910.8500 160513.9586 160187.8195 48849.2061 160638.0814 91499.8893 101117.6457 114483.2200 164966.5039 123600.6173 100212.2157 233145.6533 155026.6386 149163.3236 54472.3870 101410.5398 146529.4733 224556.1806 156321.3586 263039.4687 243612.5792 153456.8853 204295.0932 183536.9527 133896.6443 154129.7734 67617.4178 106299.1286 195658.9323 199561.8270 95692.0230 196123.9582 TG(58:6)_M+NH3_feature1 TG 58:6 38290.6182 39490.9943 52152.2101 22347.2745 12585.5952 42851.2830 115166.1585 118430.0142 66744.7720 121271.8763 307.0186 352.6059 359.1661 203.7342 230.7465 218.4311 37989.2428 40123.5833 37946.9011 47377.8355 47419.8194 39452.4743 38420.0385 40120.8143 27742.8011 30780.3078 20943.8940 44320.8697 30791.7853 161179.3146 31861.5299 31645.6253 29732.3492 45032.6473 100559.7504 19052.2638 170856.4438 42489.2655 39077.8365 10931.2227 105160.0548 22189.9434 25333.8718 46863.7785 35215.0448 41412.8930 44181.7441 61724.6186 31631.2925 48033.9368 18276.0291 23568.9267 21325.9891 76935.1125 22188.7017 67998.5210 276317.7074 48242.7588 49447.8505 51373.4097 30049.6878 23138.7340 17933.5683 29144.1272 48875.0805 77431.5654 19678.7241 8595.4874 TG(58:6)_M+NH3_feature3 TG 58:6 27782.8105 40010.4404 4363.6566 36738.4465 13347.7678 21973.6392 52439.8197 45372.7164 33025.2100 42043.1446 245.7227 688.7165 663.8389 470.9189 882.2719 844.5056 32274.0561 37369.4727 35529.6987 33761.6070 24954.7404 30592.6807 32066.9857 41773.7877 44822.4828 58602.1646 69001.5146 67460.9963 10463.9753 69542.4459 23176.3097 29687.9892 21398.8429 19352.9362 35613.9696 11549.7669 66074.8257 17001.4249 12998.0028 4627.2088 49393.2943 16742.7472 21601.0522 24339.2941 24886.5796 18657.3535 18887.1440 33010.6683 5617.6538 30316.2400 9547.6176 23564.6080 17014.9559 38089.3901 11670.1443 25561.1196 80631.6203 19087.8154 34826.7920 25599.1465 27333.5957 19620.7766 15407.8475 14848.7273 28078.6359 27180.0871 16475.0874 7080.9435 TG(58:6)_M+NH3_feature5 TG 58:6 634978.7652 828336.7022 1560295.5670 621436.9094 233533.6043 761364.2868 2402341.6140 2002553.1330 1201171.3860 1780750.3830 390.3305 411.6523 408.1341 406.5653 417.2626 421.7733 737699.6553 940829.1247 883856.8584 821709.7897 823348.9117 680610.0551 785545.9596 942664.2862 594365.3908 577579.6799 766057.8695 753869.5763 490057.5336 4613513.0160 603734.4096 727829.2861 598099.1386 712373.1712 1230930.5420 371362.3528 2383435.7710 585221.2316 553333.2369 177903.6630 2221685.7780 433609.0838 559998.6180 729630.6246 768954.4150 702789.2243 587013.6012 1008865.6300 375027.5839 1210733.2220 221643.4703 664840.4581 365891.3048 1158654.7660 341288.0417 707284.0225 3218303.1930 764324.8098 1161762.4260 932086.7575 591113.7991 200744.0046 285237.6885 415098.0757 889735.8528 1010867.7790 403403.5900 167549.9110 TG(58:6)_M+NH3_feature6 TG 58:6 321809.1866 437484.1878 611504.5696 370381.1666 151195.1154 425911.3821 1220725.4140 1465542.4800 665450.4540 1272347.1170 526.1305 516.2266 522.2100 555.2012 581.0957 582.8333 667355.1424 537594.4854 587711.4333 562048.9892 616230.3287 745958.4936 472275.5728 631373.8128 984884.5618 609883.2553 589554.7734 571830.6697 345330.8340 1662861.8990 400106.1396 524538.2720 460017.7292 422497.9248 904081.2805 247342.4938 1531533.3240 651475.0064 301669.2727 83075.6818 671897.5144 334327.0308 319554.9193 537348.7128 500508.4106 455924.4874 624114.5304 800028.1569 192213.3798 467989.0756 170704.9340 478687.7340 228743.7811 405994.0260 261639.2617 1144695.3290 3028311.4040 490480.4861 695826.9707 623289.0011 400698.9569 431494.1242 224303.1851 249640.9700 483293.7128 508797.2861 269285.7475 465662.9106 TG(58:7)>TG(18:0_18:1_22:6)_M+NH3_feature3 TG 18:0_18:1_22:6 1013868.3170 1766725.8480 2416852.9790 1310893.2350 428905.2307 1617118.6070 5258167.4270 3749785.3960 1892915.9270 3316706.9310 671.3040 851.3041 803.1133 640.6604 835.7252 720.3029 1663062.3780 1763069.7670 1672878.8650 1679003.5870 1862752.4600 1720012.4440 1403897.3900 1873300.5010 1230992.9670 1362634.5140 1715059.7560 1675171.0380 1073434.7010 4705615.1650 1266169.8640 1611926.0430 1141453.0380 1873384.2380 2413037.8490 796727.5316 3590709.3110 1569230.1580 1288096.0990 353632.7431 3162572.0640 830329.6804 915044.9959 1701040.1420 1533881.2330 1424798.1340 1639141.9780 2310006.3970 924587.2072 1772710.6810 509444.5508 1220116.1630 1072327.3210 2456579.0720 795598.8621 2442605.1750 5280888.6230 1667324.0190 2317273.9570 2239580.3580 1125304.1600 741727.5994 632009.6027 1030014.9240 1527837.2990 1791653.8320 716101.9069 633457.2058 TG(58:7)>TG(18:0_18:1_22:6)_M+NH3_feature5 TG 18:0_18:1_22:6 445130.9608 602617.7173 982857.0379 429546.4273 186443.0320 725004.2754 1314264.3800 1135883.1540 832946.0227 1052695.0060 387.4641 391.0935 405.2195 380.0045 382.1611 385.9111 723297.4256 801696.0644 737020.7742 779122.5935 811670.0248 732912.7644 824646.8882 711184.4479 484291.3949 485278.2568 589089.8752 563889.6207 688016.1429 1189305.9670 480406.7951 645671.5412 659944.0026 730750.5979 942805.1961 501007.1398 1216000.4620 790028.8937 866196.3056 166749.1104 940713.9380 612541.6382 418343.1096 896494.3502 844493.5660 659628.2911 717958.6047 1126572.8010 799150.2882 670903.8228 167169.6800 727005.6096 462909.3636 1035909.8570 543597.2874 1301557.5670 1345073.8310 1178505.7950 1101447.9850 866344.6404 710192.9802 586900.8775 418111.0107 629096.3930 748367.4160 859838.9947 541176.1396 546308.3963 TG(58:8)>TG(18:0_20:4_20:4)_and_TG(18:0_18:2_22:6)_M+NH3_feature6 TG 58:8 227585.1625 284539.2095 507791.0191 187086.7227 119714.3922 412656.0236 710506.7757 680921.8520 524796.5550 480657.9102 362.5422 459.7411 416.2158 346.1066 451.5125 389.1759 347596.4386 334545.3993 374203.7115 339438.5202 391976.3446 316927.6208 357202.2907 348659.4920 313617.1815 334629.2503 371429.5170 334141.3448 311776.9254 686320.1095 255030.5277 346523.9242 296448.1170 354874.7851 563023.9133 216652.1041 475021.7630 360430.2742 350223.4562 106697.1274 391505.6329 206965.3481 242460.1407 429895.4691 341781.6017 326425.9973 427288.2390 431078.0251 354603.1030 379568.4022 135570.6768 313266.1122 281818.8292 656633.3512 331576.6347 858747.1324 941614.9042 557712.8215 377848.7630 342153.0242 264233.0234 273337.6672 209219.1173 234031.8341 401603.1387 329646.6714 234024.8153 285414.7873 TG(58:8)>TG(18:2_18:2_22:4)_M+NH3_feature4 TG 18:2_18:2_22:4 463252.2748 668807.8905 1039951.1140 477731.5595 254713.8442 906214.2312 1877233.4090 1610702.6190 994682.7684 1632602.4740 355.3784 359.4387 361.7743 412.1279 426.1145 461.6148 661990.2476 737397.4279 726473.0430 712860.5492 809582.4429 795377.1706 543022.6337 755877.7105 640614.3401 658430.6217 708804.8741 926084.1970 487224.6179 1887318.8360 365358.5109 540600.3253 533590.5109 668264.4854 1435874.5830 399825.5326 2174788.0930 786231.7990 564014.9177 165331.3452 1207413.9040 375617.9766 435535.0991 750664.0908 691789.4240 717502.6883 850077.1576 854855.7274 406599.3694 762938.7878 145094.7803 498829.7211 355342.4154 1133285.2800 486308.4826 1282422.2920 3320630.8260 900287.2748 940865.9423 910648.9370 445990.3912 225140.4842 310917.6160 401288.5698 618126.4448 759744.3343 315752.9871 318629.5464 TG(58:8)_M+NH3_feature1 TG 58:8 180568.3737 313497.3488 422326.2164 242217.7945 137426.2021 343202.9419 514337.5465 728086.0551 413134.0415 482289.3491 591.8975 621.5524 649.8831 784.8688 830.2225 844.5333 304797.6746 300097.0944 322077.8900 290004.1146 316158.3996 292787.2752 295067.1210 317924.1220 294541.5260 284307.6587 354828.6915 330847.6811 196064.8420 597800.6753 201500.7732 250447.7068 160190.3189 331327.3525 424647.0153 207994.2996 728341.3312 357861.1632 262340.8290 83120.5015 336720.9857 177664.3072 164914.1850 303210.5086 323243.2165 301636.9943 268329.3728 470990.4394 246454.4532 310360.3294 103383.1194 285376.5375 181076.2532 516545.5527 288110.5987 448357.1880 937516.8322 432063.8647 406468.1507 292399.9557 185883.7039 186898.5997 139116.4459 173251.8100 208812.1098 260001.2157 196259.0774 173206.0696 TG(58:8)_M+NH3_feature5 TG 58:8 728148.2279 978845.2232 1384904.4650 654544.0534 469035.9580 1091695.5300 1781752.5540 999355.0788 1110816.1870 1324824.2360 1065.8008 2365.4415 2692.6596 998.4978 2019.5204 2012.1490 981576.7234 1045288.2350 1176346.5900 1058802.9440 1008938.6400 1160594.7290 1075421.8190 982810.1575 489444.8502 782604.9865 548951.9613 853556.9830 1142150.3950 2017316.7370 1045136.1010 1180232.0010 1014354.1690 961151.8243 1409713.6150 654401.7125 1829578.9410 1287844.8790 1291649.9320 370070.6901 1553887.9740 795284.0777 724143.4794 1129137.8460 1003945.3580 1144417.5850 1038316.8310 1354335.0450 1007789.8310 1112972.3010 480107.8600 982526.9570 613113.1894 1366264.8850 694159.8352 1862979.9000 2465887.2980 1207215.4430 1489989.2620 1805601.5040 822789.8313 791527.3353 624272.3070 789471.3528 750572.8201 883112.9613 529196.4093 575670.6204 TG(58:9)_M+NH3_feature2 TG 58:9 67951.9400 97140.9244 112985.3891 54412.4219 40478.6294 213433.3892 261075.2021 138025.3598 192927.4872 247888.6708 299.3195 312.2364 326.0824 356.4233 376.3320 382.1163 124579.7243 143310.0170 141828.1403 123516.5458 132300.3345 129766.8090 133740.1638 136379.1255 92409.9436 114351.6941 120831.9585 92919.8901 87102.3188 246759.3451 82220.0011 64146.9248 78444.8470 134370.6581 215064.7009 95109.1168 176651.4603 168036.6041 118755.6556 39746.3585 158758.4277 95348.4995 44952.5450 175230.1920 128516.4875 138324.9902 163917.7302 172200.9179 132445.5612 109173.4818 60984.3593 125877.4429 91451.8864 249248.4199 159854.7991 348418.8990 547891.2325 265742.8628 136716.3638 139042.9206 101963.9733 89623.2725 73632.4853 105154.5664 105443.9461 110694.4794 72263.6503 84585.0164 TG(58:9)_M+NH3_feature3 TG 58:9 657841.5524 996594.8069 1358994.8580 663377.5979 321899.8467 1014223.5620 1843528.1900 1808401.6340 1105490.9610 1685348.9940 354.9614 371.0498 384.8793 321.8460 341.4815 349.4458 881706.9462 942041.2879 981576.5646 1025803.3300 996526.0063 980274.7113 901433.1092 929028.5031 715002.7024 758473.4850 953826.7452 950255.5597 863058.5048 2018197.6390 872679.4386 803921.9620 804714.1983 1018453.7790 1345955.1420 625495.7440 2279694.1960 1100002.7680 1003681.7610 260427.7461 1315716.6660 617218.1174 517806.7637 1177908.7540 957019.3048 985417.8510 1186624.7270 1272165.2120 826480.9201 1014840.7980 360134.6638 951161.8960 556428.9912 1287298.5140 765952.1028 1934143.0570 2468909.7860 1171371.6900 1336104.0840 1319933.1030 629450.8441 557272.4649 442550.8050 574278.1962 741572.7874 750163.0048 374303.7034 406359.0334 TG(60:10)>TG(18:0_20:4_22:6)_M+NH3_feature3 TG 18:0_20:4_22:6 57587.4458 87223.2005 126852.1784 50604.3513 30488.8733 88963.1405 201937.1217 248911.8422 138474.8518 186251.3513 385.4022 402.4584 418.1910 395.4433 418.3626 436.7864 81504.2055 90328.0466 133388.8107 104166.6389 93197.2172 114374.8631 82894.7999 98075.3850 75674.4551 65764.5908 81924.3987 63982.0928 76042.5307 118083.0980 61645.0503 81316.6771 67937.6182 123381.6454 178063.1789 71891.1882 251678.9967 142805.1340 88433.6346 30238.5866 130090.4266 71624.6207 46119.1353 145674.5422 63967.4438 140055.9358 108668.0651 156072.9018 89048.5678 75484.9510 41076.6666 87094.6223 43251.5815 93404.1038 116351.0632 184429.4496 264179.1892 94073.4021 104664.2517 151646.9349 50693.3383 54257.8488 44376.8621 62803.8129 38245.6570 85706.6705 44434.2575 70013.2362 TG(60:3)_M+NH3_feature2 TG 60:3 54734.3063 123583.9799 143487.5894 116165.2202 40269.0723 70262.8614 129483.7094 338522.2509 111766.5021 308836.1736 499.4344 571.7611 558.1877 550.5329 650.6109 629.7836 137317.3652 101156.0025 109662.6077 152228.0315 124705.5971 118823.7031 108055.9868 130605.5081 86953.1624 86719.3489 152072.6276 108386.8411 34652.0694 199896.6139 67996.2137 81195.1385 72274.6789 48885.4928 129371.1630 51093.9947 489055.8802 56157.2533 60874.6926 17080.1921 172803.8493 52108.7642 58823.0556 87232.3008 140551.7143 63643.2029 64316.4530 129715.8294 26371.3113 134549.5871 24632.0460 94821.0060 55293.1749 185231.5404 54464.9953 132895.3131 331177.3547 116736.8049 146116.0077 87197.7347 73465.1498 75426.2687 38483.7356 63384.4466 197721.6814 111313.9645 79144.3424 54929.1686 TG(60:4)_M+NH3_feature1 TG 60:4 59568.9867 123648.0571 205107.9725 115309.7495 44852.5288 75180.8047 289898.5571 324010.0056 126750.7065 377694.3030 325.3166 423.5841 348.0671 299.0916 330.9143 316.4574 100027.9478 137207.0747 112198.2810 122148.3900 109403.4367 113467.9039 116701.0623 117612.7249 93188.7472 107483.3115 188877.8435 196502.2975 55460.1019 249709.0019 82865.9067 78515.3535 77527.6183 73862.4799 141811.4076 55042.5126 726719.0590 74675.0502 64353.3429 19489.4779 183818.9040 45195.5621 62532.1544 87641.9013 173664.2694 60597.5200 80434.0927 168732.7927 39237.2573 123955.2684 36791.2949 79301.4979 47630.1636 207272.6859 60173.0626 163869.0972 441399.4650 141404.1992 142791.9748 84170.4075 89731.8001 76719.3699 45344.2366 52842.9911 183333.1844 127146.0388 77222.0211 54875.1300 Ubiquinol Q10_M+NH3_feature1 Coenzyme Q10 103980.8748 149236.1322 131019.9477 173841.7988 97603.9594 371851.6735 251138.7535 239003.6441 201858.5712 138539.3051 222.5870 270.1685 242.8363 282.4938 286.9588 308.6236 172575.4800 165130.7164 175958.6553 176977.5483 148970.4638 161090.2438 165284.6232 184054.6439 75913.1989 84784.9865 6973.5925 101003.3046 192285.1056 170456.4549 186476.1534 385067.7462 129748.5747 160468.6802 181040.7015 94722.5045 171123.9447 121198.7931 128994.1505 107229.8259 162132.1696 199112.3364 249028.6670 141422.4048 168197.8398 115684.5518 174480.7104 155539.5195 187672.9085 181612.7625 6472.7791 166683.5157 148593.5575 231239.0317 192068.2254 3569.0605 121344.9558 197932.5458 187107.2295 187232.3312 123500.0170 197623.1465 315316.2626 203339.0726 318536.6955 186358.4513 201237.5393 519213.4770 Ubiquinol Q9_feature1 Coenzyme Q9 2430401.5600 3173139.2060 3364279.3050 3926580.8290 2824594.7430 5412899.5130 3896593.5160 3891323.8690 3042681.1410 2691347.2600 959.2251 985.2836 1384.7324 1068.9368 1284.4845 1898.9286 3240755.3200 3423727.0600 3616992.2900 3691124.7550 3550029.0970 3537724.8510 3337884.8720 3357746.5420 2485230.5110 2877262.2310 1973269.8480 2222633.0950 4038693.1830 3412758.1260 3708371.9370 6053898.8330 2779348.6430 2959560.0510 3438132.0720 2378446.1460 3143744.1970 2670749.8460 4171382.9290 2632869.0800 3120657.5730 3816324.1190 4296423.7950 2921910.6510 3376054.2050 2408751.3790 2846254.6090 2705939.7130 3953555.3400 3278596.5500 1403040.6920 3768742.6680 3576057.0170 4478709.3810 3372890.3360 2475581.6050 2599884.6640 3641916.6990 3936093.0240 3624182.4610 2909920.5460 4261116.2100 6503633.5220 4231276.1080 5136967.1370 3709965.7360 3897603.0390 8253166.1390