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 Cer(d34:1)_M+H2CO2_feature1 Cer 34:1;O2 53384.1665 58300.2979 51896.8448 44330.5442 41828.0094 71691.0338 54809.3998 77157.5631 67407.3825 46228.7404 735.0382 725.4968 699.8026 1145.3268 769.4942 692.6998 53917.9069 52384.6983 51846.5918 52960.1801 51658.2907 54104.2662 53221.6224 52452.0655 44552.5550 46804.0866 45362.3234 48364.4384 54435.7501 62166.1391 53417.9906 50357.2053 55802.9743 43078.5958 55174.1701 38256.0881 50033.2714 43852.6074 66122.6883 32737.7169 56864.2810 50536.7243 48106.2409 55363.1999 45186.3382 46085.4493 40451.4110 65670.4240 55157.0257 65251.1522 25181.8574 65436.2721 40708.3270 73063.0945 56212.2890 50454.0852 51021.1428 64567.6565 36144.3509 58240.7577 50065.4479 43532.1515 42136.0963 53320.0110 50087.8923 47003.1996 46213.1069 49415.1441 Cer(d36:2)_M+H2CO2_feature1 Cer 36:2;O2 60010.6666 78249.3170 85190.7254 56426.9088 63034.7959 87445.8727 58868.4904 96298.4527 80849.2050 57049.1308 207.3388 201.7027 199.2178 231.5250 214.4271 233.3277 61525.5782 68390.0845 58262.0620 62680.1511 57718.4675 52720.1082 65720.0509 66504.0317 51691.9588 46426.4817 48791.0966 43719.0309 60258.0991 51671.6642 64902.8751 72763.1263 59077.6750 48661.3988 68906.4894 47491.5970 64636.4210 38668.1372 72248.2722 36598.8897 53454.6602 55825.4341 58160.0501 61875.5246 57651.2366 40159.4619 39766.6079 81017.2893 72749.0840 84837.8005 28504.4268 85151.4846 53006.5255 106053.5664 51438.9159 54626.2222 64744.2706 95028.7127 71544.3243 64872.6197 68856.5709 59240.6047 53910.6342 74818.8161 44448.1085 51211.0374 38892.4021 67780.4377 Cer(d38:1)_M+H2CO2_feature1 Cer 38:1;O2 14309.8646 16825.2107 14295.6256 15381.2198 13069.9651 18582.3579 23405.2664 17431.7169 23227.8963 13614.6708 139.5059 151.2473 161.7480 159.9143 184.4336 232.0435 18757.5310 16119.6006 16718.7814 16211.6960 16913.5582 16303.0158 17414.9480 17891.3682 9754.5509 9350.2848 14505.3510 13944.2328 19221.0231 16477.4567 16862.0671 21048.1538 13707.7180 16063.3181 16519.3450 11950.7102 14441.1884 12886.6994 32473.6949 12423.0315 16425.3133 17175.9999 18149.9832 14936.4814 15404.7084 12173.3636 18774.4646 18579.0663 21160.7886 23994.4493 14858.3988 25616.6073 13390.0689 17592.8795 19779.8823 20165.8613 12243.6352 20918.1321 16730.6562 16590.8922 12769.1953 11840.2742 18779.6819 14146.4882 17469.3691 14490.2835 15923.1843 17219.0160 Cer(d41:1)_M+H2CO2_feature1 Cer 41:1;O2 44189.5566 55498.5061 49992.8678 43931.4060 42374.3083 65469.3795 50008.4048 63692.0309 57613.0148 41614.2637 151.4520 161.8199 161.3124 169.5151 171.9342 183.1974 56577.8563 54282.9602 54651.6690 54241.8299 53254.5707 56945.5371 53549.2876 56207.3774 28708.5496 27131.3065 36855.1690 39344.3028 58087.2556 49534.9127 64571.8242 67182.1188 50060.6343 40965.1133 49640.5746 35106.0967 44777.0663 36264.2889 74122.9150 41127.5522 59087.4322 64815.6122 56990.1104 50995.8217 46596.1073 40062.7961 46096.8286 59859.2238 79547.6634 73750.2104 41419.4389 74263.9821 49540.1789 70859.7393 56116.2055 52017.1857 44458.9022 73623.3082 72682.0580 58489.1462 54743.9365 59978.7706 74912.3492 57527.5837 68189.4931 46596.9470 51432.6862 82143.8804 Cer(d42:1)_M+H2CO2_feature3 Cer 42:1;O2 152584.4061 184110.3908 165380.3796 154026.9061 161698.4029 237885.6191 234840.1343 248103.0252 262434.1765 168356.3524 183.7197 184.7651 196.4745 187.8258 197.3266 185.1543 203353.1570 200286.3421 206780.9497 197752.6638 200329.1255 200296.1201 205965.0803 201636.7105 109625.5373 106652.7848 151736.6910 149695.2033 218972.7953 168327.5144 203791.8520 223034.8830 189065.1407 172885.2907 212723.3634 154197.1799 195158.7096 176423.3181 301935.8768 135305.8187 193683.8054 235310.2424 192508.6119 201150.6773 207764.2719 165767.4931 200352.0145 268055.5597 285997.1295 270762.1772 146375.8178 255069.8308 172439.4754 256842.2784 245466.0995 221416.6968 186673.8331 301034.9856 247456.7785 204969.8695 199220.6297 208239.0165 223556.6011 225394.4018 256797.1086 196150.6943 188541.7285 269327.9613 Cer(d42:2)_M+H2CO2_feature4 Cer 42:2;O2 79980.2950 88762.6638 81362.1736 74996.8474 72050.0065 109844.0556 92527.2462 109350.5045 101031.2605 68065.2534 157.3120 147.1567 149.0716 157.9330 175.3620 189.3643 92239.0441 93896.2879 105916.6524 92909.2712 95942.7427 83732.7226 100276.5123 97122.0977 65598.7813 54551.5419 63147.5217 61137.7499 87661.3435 83955.0927 98620.5527 89145.5859 87951.1929 66738.7105 85099.4088 64287.7054 71870.8684 68939.7235 166627.7432 62972.0012 78737.6177 93928.3722 85769.9976 75848.9118 82033.2436 71825.5389 65710.0489 108383.9629 108783.7008 113855.1824 58217.1121 113989.3896 69856.3637 119069.7697 95798.0802 96734.2748 82438.7580 132013.2504 101573.3629 90591.5951 81363.4856 80377.7919 81996.9973 100667.9392 111283.9805 93029.7654 99481.2752 134180.7532 CL(70:7)_feature1 CL 70:7 18773.8030 29065.4934 21884.3825 24041.9576 19991.4690 28997.2232 31004.5822 31757.5294 33634.3097 25213.4267 211.6804 214.9292 214.7163 182.2898 210.3631 211.6819 26040.5498 26303.7543 25815.5749 27298.1827 27813.2868 26121.4743 24895.4820 26903.2265 7902.2223 7242.5892 14821.5291 14380.4552 23431.8174 24541.7636 24654.9030 29147.9144 22587.0939 20293.2317 23666.8821 17711.8797 31613.3942 23894.5963 33928.1254 16483.2921 20777.7994 26750.2566 25608.7787 25243.1397 27323.1252 23887.7491 21484.5432 32410.7681 30531.7941 35537.0063 7415.3423 28024.7459 21293.6507 34015.7073 24744.4439 25656.8021 20923.7875 28683.8282 30563.1542 26289.6883 24403.3429 21253.9510 22162.3389 25149.4341 18866.9969 18819.4269 19089.5409 26493.6555 CL(72:7)_feature1 CL 72:7 37026.1079 52920.7254 42680.9683 53147.5208 37492.2953 81003.5572 78803.2600 84109.9869 85870.6138 61012.8747 242.2974 251.0321 251.0937 198.4730 207.5667 208.5532 62280.9440 47350.3851 59760.1042 67002.4893 70405.8033 53649.8322 56608.4597 58089.3149 22343.3116 20002.8312 35739.0002 29945.4432 59500.9388 52183.9561 63285.1586 65170.8337 63467.9482 44916.3354 69741.3670 46259.3897 72505.7673 49864.0533 87809.4343 45774.6247 52648.6200 74761.0171 56409.6342 65923.7767 72632.8995 60703.8401 66787.7829 96426.9137 66743.1767 74106.6037 14496.1200 61105.2611 43934.9903 74927.0870 71032.7376 80268.0458 49508.2295 75429.2228 58068.9700 47532.2150 50624.2758 57092.0522 3550.0947 86046.1799 69696.9872 78586.5633 66423.2134 99127.6536 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 139536.2023 141609.2436 132001.6363 133116.3975 133384.1569 138484.4890 135835.2117 133421.4942 139473.2057 138789.3896 167.9862 170.4689 178.5873 186.6308 178.0826 182.0783 139324.1740 138268.6402 133900.1853 133421.6404 132267.9006 132468.3714 138920.2714 139248.2006 134224.5402 131227.2923 138089.2144 132923.8863 134999.8884 135207.9354 138458.7134 135394.9390 144483.7956 137594.1775 132965.2548 141213.2213 135140.9475 137608.3830 139256.0049 140716.1225 131394.0072 131415.8953 126272.7316 132983.1908 140817.2745 143543.1842 135380.6287 143372.5324 139211.7902 137950.1862 137838.0405 148407.4994 136235.6012 139150.6908 132803.8168 132879.4155 132467.0553 131959.3405 135222.5578 139432.6588 137719.9622 136559.2829 132083.3745 134445.9197 137355.0430 139249.7900 131389.1503 134011.1575 GTInternalStandard_PC(33:1(d7))>PC(15:0/18:1(9z_d7))_M+H2CO2_feature1 766006.9769 774929.4470 792619.6021 682763.1532 738393.1909 744739.4954 703951.1421 653203.0819 649624.6748 713396.5132 219.2680 217.1195 219.9545 259.9160 241.4231 246.0280 712656.9809 757287.2551 731024.6909 684018.8432 690358.1764 727227.1783 695620.3442 758374.4400 758195.8103 778094.0400 764294.4075 688121.5805 721211.9381 697426.6382 703034.7800 659373.2941 737439.6814 753288.2930 757972.0825 701921.5314 761870.4200 723858.7756 660718.5100 789864.0500 707233.9162 714168.6167 743677.8505 697542.5292 730574.3184 799024.1485 745959.0381 668340.4786 742164.2555 663743.1108 771151.8839 764932.1946 719699.1875 660277.2452 720718.6509 747386.7739 798085.5124 667039.4327 731598.7866 669212.2686 700074.3246 749062.5965 688090.4000 703264.1513 693299.5063 741244.5847 759551.0952 649622.9608 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 54590.0892 56023.2597 53079.8157 55597.7829 55619.4847 59887.7187 55835.7902 58121.4006 54418.9663 56227.3302 151.6954 177.1785 157.5564 157.5077 161.9677 163.3204 54941.9222 55680.2943 57058.1724 54432.2314 55074.0553 53823.3915 56205.2262 55905.2046 57106.7316 55425.8144 56722.5845 55913.9901 56187.4906 56373.6378 56295.4562 57864.8511 58235.0591 54167.6186 56173.7398 57814.9098 53911.2346 52917.2364 56477.1871 56473.3516 53071.2005 54041.9444 53875.7065 55615.4647 56443.3422 59332.5507 55484.0623 54897.3139 57827.5226 53965.3647 52595.5657 56865.7519 54304.8534 56590.9143 55047.9157 52699.0630 54518.7536 51748.6535 53291.2062 55222.6549 57450.3001 56955.1575 55413.2737 56100.5941 56007.7038 58949.4780 53828.6154 55126.9957 GTInternalStandard_PE(33:1(d7))>PE(15:0/18:1(9z_d7))_feature1 44836.7344 43387.6076 45075.8388 44838.0905 45622.8383 44472.4040 45567.2967 44768.8535 43537.6888 45183.0216 704.3770 540.2925 746.8770 637.3458 218.6380 215.9968 46008.6490 45026.5675 48063.4705 44207.0235 46028.4855 43822.3252 48762.4663 44888.2334 42522.6447 44596.3789 45614.5997 45247.8016 44585.6878 47464.1995 44732.9642 44464.3085 44073.5411 45650.7521 44090.5721 45818.3326 41132.0427 47843.4852 41417.4329 44943.5419 45059.4700 41580.8531 43785.9121 46198.3875 47224.6149 45567.9527 47305.5030 46697.6424 43048.7734 44419.2371 44692.1239 44661.2020 43353.6407 44209.4500 46932.6610 44385.7855 43928.9399 44069.2869 45263.3909 44594.9235 43481.2569 46618.9437 45642.0853 44599.1993 43306.5945 46350.9157 47723.6833 45501.0975 GTInternalStandard_PG(33:1(d7))>PG(15:0/18:1(9z_d7))_feature1 214373.0809 209272.6531 204021.2331 225311.0101 205622.5476 219599.2731 214872.1287 210960.4506 214106.4563 222968.6708 201.9900 178.3706 181.4509 204.8323 195.4678 211.6574 222688.4100 210275.3118 209722.7975 206849.4847 208574.7285 213941.0092 217828.8780 214206.6653 220295.2862 191415.8739 214033.7766 199951.8356 220937.5356 224194.5945 222341.7273 209827.8920 216533.8492 219318.2235 218443.4017 216618.7086 206154.7203 198793.3290 213368.2776 228967.1787 205337.5779 201029.3996 197939.1105 208235.7718 223169.8206 218546.5766 225410.9186 210626.7400 211956.6791 212344.5892 209612.9066 224085.1874 208319.6330 213537.3618 221970.8490 216288.4897 220959.0959 212959.6951 223485.6070 222787.4919 211752.3165 217146.3044 217342.2419 200778.9570 216967.7356 237959.7914 213528.7425 206281.8219 GTInternalStandard_PI(33:1(d7))>PI(15:0/18:1(9z_d7))_feature1 46242.6892 53499.9567 52271.3853 57677.3732 49744.2365 61021.1081 57333.4088 50626.5719 43573.5740 57247.1340 203.0199 200.7228 197.1666 194.2350 191.0303 219.4542 52240.9213 34189.2158 50404.4833 51054.3039 49739.6617 46184.5926 46858.7721 44876.2587 54066.0440 29868.8553 34028.2370 46806.1864 44094.9297 37419.5619 35719.4968 60527.0649 52694.5399 32666.9727 50106.6070 50200.7670 39392.1229 47379.8732 52509.2239 57061.6552 47390.7166 43793.9968 31997.1295 53713.6139 41300.6596 59851.5745 48517.9714 46427.4881 44106.4742 45283.5893 17672.8702 31147.2674 43878.1531 53868.0563 37148.0318 37471.9380 37197.3850 35547.5840 57965.5662 51907.9000 50921.0355 57950.0623 49721.9746 61357.3181 55649.5332 41090.0577 57288.5010 50684.5909 GTInternalStandard_PS(33:1(d7))>PS(15:0/18:1(9z_d7))_feature1 15128.0163 17736.3885 17859.9100 16044.2480 9284.1004 19810.9509 16292.7768 21262.8000 16525.3535 16270.2593 514.9720 226.2621 613.3130 273.0154 250.9756 1059.4736 15599.5825 14420.5405 17173.2870 16322.2662 16040.6630 13486.8288 16494.7173 15711.7535 14400.0643 15915.9968 13718.3149 15799.8745 18602.6685 17875.4757 18030.4416 17408.8580 15407.4829 17079.0674 16667.6359 17082.5449 16643.7580 14121.1141 18068.0884 14854.8856 16895.3269 14971.4010 17988.4355 17707.4449 16822.3739 13791.2481 14694.2127 16857.3761 14961.4719 11885.3040 994.1143 18544.5238 18481.0287 14201.3686 9771.9998 11458.5102 5981.4851 6814.3565 15220.7931 18040.8346 17822.2440 17042.4156 12059.5689 18661.3239 19120.5523 17820.6451 17910.1770 19088.7734 GTInternalStandard_SM(d36:2(d9))>SM(d18:1/18:1(9z_d9))_M+H2CO2_feature1 115055.1689 108628.7987 107189.3220 117746.0363 112774.5812 106020.2592 118048.1270 102097.5114 104367.5050 110762.4636 177.3202 156.5016 159.1189 173.5518 165.5345 173.5536 110742.1518 108113.1771 109689.4205 107108.5741 101705.9873 112022.6237 107357.2981 110715.6430 115912.5465 109037.1790 122403.9890 109614.8299 106567.2776 117629.0532 104030.0117 107113.9737 126594.1111 108353.6767 109823.3165 113624.9832 106772.9960 109292.7920 108661.8058 123397.8590 108397.2657 109770.2226 105241.5153 109922.0820 109398.4631 121521.1311 116788.7273 101134.9771 104231.2665 109569.6944 121008.6157 111697.0836 120397.7118 97567.0961 111237.3482 111523.3877 120368.5724 105355.8759 111210.6599 107446.1656 109201.4360 118164.0993 110087.9407 105110.4313 111721.3195 117878.5715 118696.5932 104443.8389 Hex2Cer(d40:3) Hex2Cer 40:3;O2 24445.8820 26519.6732 18295.2130 42703.8725 13596.3151 16902.7305 25992.8619 17583.0827 20583.3196 6894.8440 139.8536 143.2518 149.7868 170.3681 176.2246 183.0300 27461.4495 27640.3278 24986.4500 25034.4893 26518.0908 26043.3378 26618.9080 27647.1991 17731.4532 16845.1630 27465.3483 26907.7052 11448.6599 52336.2516 9255.7397 47021.1530 44975.3357 17056.7560 10481.7316 18016.9253 11203.6146 15150.3763 169861.6449 45357.5705 18923.0657 21434.5411 60640.1159 26671.5652 37245.3290 8973.3876 17718.6109 10198.7856 24157.2732 54792.8384 22639.5393 47341.8185 27492.2850 15824.6341 26120.4998 43640.3979 7369.9458 23684.3202 9357.9018 19831.5555 21572.6390 11524.1697 17791.5861 6119.8773 28105.7421 4786.3326 13151.2131 10452.8938 HexCer(d40:1)_M+H2CO2_feature2 HexCer 40:1;O2 20394.8668 19116.4692 10050.7594 47784.0016 10511.4122 13789.6545 25375.1441 14717.0968 15431.2401 4313.9040 145.0824 229.5013 159.1030 140.6715 238.6332 172.4878 24648.1455 27079.1087 24045.2897 25211.4548 24030.7730 25424.3065 24578.6096 26112.0164 18760.9369 18420.4386 19971.7539 19850.9962 6653.5761 76500.6700 3757.4413 62118.3166 39414.6048 16089.5311 8500.3771 12987.1274 9309.6570 14059.9580 219210.1546 48397.4937 10474.2131 11690.3007 72309.0989 24484.8599 39047.9521 7753.7362 18187.8422 10822.0349 12614.5617 55004.2797 14697.9157 56299.9373 25406.4369 13505.1632 28999.8989 47940.7503 2984.4546 20879.1674 5455.8592 9748.0974 12979.3993 6887.2095 12429.8529 5662.1533 24720.6428 2512.8474 11020.3190 8897.4729 HexCer(d40:1-OH)>HexCer(d18:1/22:0-OH)_feature2 HexCer 18:1;O2/22:0;O 71268.3666 65854.2016 51516.2466 122200.2057 37021.8749 45064.9483 72570.8626 49958.8921 59669.6335 20503.5384 471.1226 507.1009 564.1642 598.8050 599.3106 632.0208 77831.3452 77856.5522 73800.7735 71153.5109 74618.6336 69474.9240 78787.2551 78922.4622 42314.4671 48313.0675 70412.0983 70763.5377 33547.6881 167958.6895 29465.8522 156237.9703 120198.2343 44191.7911 31019.2109 47708.9664 30767.6372 36203.8633 534762.7317 108663.5930 50537.9243 59426.5727 199035.5610 75398.1914 95645.6404 26616.2462 53335.1978 33992.8002 57554.9486 179674.9555 59576.7237 147787.7391 85027.4507 44624.5936 78887.9495 122086.8648 20200.3211 69979.5674 30237.4131 50012.4813 62681.6252 29768.2750 48991.1568 19905.1358 78089.3298 15523.9150 32810.4154 30838.1882 HexCer(d41:1-OH)_M+H2CO2_feature2 HexCer 41:1;O3 20010.3869 22567.5553 17732.0846 32996.8426 12948.1520 14279.9768 20399.7134 18659.0004 19008.4025 8424.6996 133.9849 231.2437 236.3555 156.7815 265.7980 261.2381 22550.8253 21267.6652 22989.1445 21508.1451 21526.3515 21566.6582 20990.6789 23403.8246 10712.0592 11835.4702 23828.9270 25291.8837 13189.6916 35335.1357 14422.4180 39357.3039 35320.5170 13110.6421 9400.9664 15519.0133 8311.4508 9689.5572 150586.2865 27856.3322 20689.7622 23853.1232 56047.7006 17768.3061 24444.9761 8873.8683 14404.2793 9909.9861 25129.5234 50190.1649 22966.5421 33022.6119 25271.5538 15317.1477 19245.2590 29260.7563 9416.3353 23713.9808 10127.4719 18543.6261 20271.0174 9819.6622 17540.6842 5876.7644 23939.3827 5703.6721 11010.0467 9968.1096 HexCer(d42:1) M+ H2CO2_feature2 HexCer 42:1;O2 51356.7383 59092.6007 30179.1697 118835.4429 29446.5157 25029.6411 63854.7668 43067.3433 42647.0665 10747.4520 140.8779 148.5277 144.4089 168.0165 175.7313 174.2953 71216.0150 65988.3059 69259.8244 66987.9269 63392.2204 66197.0741 68424.6850 71333.2957 58200.3520 59304.5162 51896.4308 52098.7443 11566.7351 200620.5921 11458.8746 130327.1005 107199.8190 42288.3485 17072.1777 25533.5187 37920.0425 46849.7039 523548.6526 129472.4605 17515.8002 48259.6939 168153.3152 68822.5943 102944.3688 11788.4241 43168.8630 17415.9578 28854.4088 122186.2605 35973.0315 150676.0671 58768.0738 36488.7435 83549.3818 125486.3726 10447.1138 62283.1174 11311.9312 20863.1157 40502.0131 14226.3150 21915.2647 10673.8366 79606.9453 9048.0139 32483.6733 21703.4584 HexCer(d42:2) M+ H2CO2_feature3 HexCer 42:2;O2 32776.4063 32589.1983 17254.8668 101927.2383 22194.2650 22670.7627 34442.8762 18007.6140 24434.3433 5241.5073 140.0517 156.2742 143.7528 147.8353 172.1520 213.9314 47390.1654 43892.9204 42953.2489 43622.3811 44612.2012 46130.6110 43119.9989 46264.3280 30668.5136 31513.3534 28342.4953 28429.5939 7956.1836 159534.7812 7037.0176 87834.8264 55735.6704 25148.4910 11340.2883 19450.2754 14460.1788 26914.5696 461400.3643 84581.3713 11010.2037 20063.3240 175148.2266 34317.9060 67403.4402 9453.7635 30390.8433 13142.1951 15323.2101 135315.5142 31129.5645 88099.7807 30744.0129 18512.0880 41846.9279 76480.8368 5418.5775 31304.1325 9172.5066 15074.4649 20267.2482 11137.0546 13766.7892 8774.7966 37019.1606 4599.5715 20433.4354 10971.0061 LPC(16:0)>LPC(16:0/0:0)_and_LPC(0:0/16:0)_M+H2CO2_feature1and2 LPC 16:0 232609.2338 239701.6833 256521.2671 242957.4943 249591.3135 331365.2849 346994.7387 388382.3097 394749.3782 253668.3412 185.5726 388.5828 410.8563 264.1905 647.8921 1257.3414 287947.7720 304980.5496 290342.6891 286316.9862 283792.6095 282777.9573 286434.7635 304843.8171 190669.9059 172800.1891 212510.0405 207121.1959 240820.5742 239379.8783 236502.9183 291247.3652 249987.8813 242603.3305 286882.3207 228181.4369 287558.5177 244790.7191 363328.4290 179789.8199 215800.2258 268304.7085 269441.4961 264212.6709 287919.3503 254950.7899 223349.9302 333667.8073 292526.3247 336949.7310 176673.6895 341631.0037 228988.0852 423288.5623 354299.1607 240995.4917 267627.6009 378419.4512 291872.9375 256541.6664 282392.2227 248105.7041 272286.2081 327216.6039 343170.9464 294281.8872 299785.4181 403226.9777 LPC(18:0/0:0)_and_LPC(0:0/18:0)_M+H2CO2_feature1and2 LPC 18:0 395000.1501 485878.7238 403151.8021 384550.3324 404432.3590 413947.1562 420275.8217 498074.1683 507620.2217 346365.1729 142.8005 131.5605 143.3248 141.1994 144.4925 328.9564 417974.8177 448683.9171 438899.1075 413456.8623 424779.9156 463224.8096 416156.9012 430662.2742 216298.2166 212129.3278 247343.2622 242142.4261 422094.5160 398060.1131 428980.9065 547201.0550 408921.1944 333393.8165 399179.6363 313295.0620 384632.1953 340733.9054 643118.7140 309024.6294 439807.8961 488443.3603 495622.6468 376054.0532 387016.1432 369016.6817 332428.1468 451561.7716 506746.6955 580325.1332 298342.5175 538277.6004 361964.0228 492644.5861 446013.8963 358232.2003 384552.8058 515711.0264 441487.1124 510116.3312 429690.1215 384099.4177 482029.1733 458819.5518 365539.1406 380403.5430 363064.3318 472195.9769 LPE(O-15:0)_feature1 LPE O-15:0 31162.5187 32267.5167 30920.7803 32353.8671 32481.4947 33602.9768 32474.3976 32746.0735 30101.4894 32148.2486 145.8260 170.2606 151.3489 147.2415 151.3453 152.5432 33307.1616 33095.8396 32233.2790 30899.7272 31073.5150 33196.6592 31949.8934 33556.5457 32596.5230 30573.2807 31727.1694 31821.4225 33180.0107 32622.6776 33098.1090 32992.1454 33726.5516 32847.3088 32494.8167 34074.2742 31987.5311 30291.5355 33550.8571 33568.5792 30180.1054 32346.5591 31328.3459 31084.4883 32402.2978 35574.1846 31546.7003 33487.4497 33253.1110 30840.9984 28545.8389 32911.7264 30869.7819 32313.1018 32077.0593 29970.3537 31263.2141 29710.3974 29712.1914 31032.5735 32627.6276 31797.7093 32949.5775 31474.8164 31630.3201 33416.9774 32337.8054 31398.4992 New_Cer(d36:1) Cer 36:1;O2 599878.0760 758262.0655 725761.7583 612437.9456 597622.1436 876147.4382 704687.2905 1043227.1250 906054.6211 552914.3311 561.3032 538.8702 552.5517 791.9964 742.2288 788.6064 718484.1135 685680.8734 642647.5579 664106.2251 649951.3807 676697.8715 690873.6549 704068.2521 555372.8672 552610.8226 626016.8259 603873.9512 690866.8541 601289.4509 731179.9975 726065.4244 716848.5210 497914.4006 651767.0060 481227.9395 585847.7074 450102.9395 777397.2598 428022.7783 637355.4939 676089.0497 684929.3154 599348.4679 605528.7401 488874.4302 474012.5050 837618.0818 666672.7036 800149.3723 357097.4187 872342.1075 523677.8621 962031.7730 607865.8991 634050.7152 601254.3558 893907.3030 782245.4201 770941.0358 697480.9617 579726.8043 496686.1387 724285.0795 644819.1228 562339.7337 472755.9730 841012.5008 New_CL(72:6) CL 72:6 19807.5767 28022.6729 23178.9244 16648.5729 19983.6752 34076.3791 41980.5139 38933.5825 45386.9878 29973.6074 255.6842 259.8610 246.7084 194.0953 225.8100 206.6360 31891.7993 41164.3291 33895.7884 25334.7635 35003.5343 36928.9148 34587.9418 33878.9676 11563.3515 9476.5003 19518.9907 14701.3143 19807.2079 29654.2429 20677.8943 33851.0180 33706.9193 27828.7504 30917.5815 24826.6876 49164.1731 27510.8427 46709.5932 21277.7077 27139.9268 24688.4567 26680.5217 42998.0851 40087.1486 36754.8401 31384.1626 53613.8716 35018.7350 36703.5865 6651.8433 34757.8741 20147.7026 50088.6429 35939.6767 27200.6393 22170.9110 37967.8986 33028.4710 30614.5919 34051.5912 31969.6944 33081.1414 34126.9059 39637.6778 34035.4895 26937.1004 50378.5850 New_CL(72:8) M-2H CL 72:8 464572.5176 670782.9194 490188.2669 516136.7986 425123.5753 703053.1410 861200.6356 818621.3844 884747.5196 575261.3565 884.7897 950.0438 1174.8147 904.4220 443.1708 1275.1102 693142.0495 690047.7083 720052.6760 756556.6718 691399.9657 715957.1543 682158.4131 710521.4654 284234.5319 291806.4959 480701.6379 519084.5979 652746.2228 587742.4405 645064.8081 781249.6475 527614.5072 499367.6008 666041.5489 493207.8542 706053.5558 529560.6953 896030.3855 453832.9844 570159.8364 738698.4586 752915.9399 634023.7428 744952.8343 518737.7136 660699.0707 870885.4433 838531.5353 880850.4909 245133.0406 838758.3504 620503.5092 827414.6992 850635.2930 816544.0837 515625.6823 829644.1734 865570.0803 641332.7852 801467.2897 734101.9093 753646.0641 833739.4560 818971.5739 751085.6626 721988.5759 1111284.6780 New_CL(74:10) CL 74:10 5280.8623 7169.1596 5647.8794 6183.4752 5029.5739 13049.2640 11996.9644 15284.6033 4158.0542 12690.6364 115.2534 115.3487 112.7499 94.6221 107.2706 109.7355 10715.6600 10447.8672 10869.9442 10171.0104 10420.2401 10688.6575 10938.7264 10387.5114 4888.8152 3943.2893 6734.2440 6552.8174 8171.6914 6922.9716 8775.6552 10485.5294 7588.8853 7066.1755 11485.2303 8176.5081 15857.9644 8367.1850 12784.2605 6507.2136 7595.9927 9179.9072 9953.6650 9998.7259 13015.6026 9512.3155 9630.0001 18991.0809 10702.7536 12523.8033 2339.7506 7570.2287 7311.9968 11988.3872 12979.5869 8351.7100 7981.7571 12642.2784 7756.2284 8590.5385 7181.6410 7385.1381 9691.5643 15303.2772 10934.5934 8896.8241 9520.9659 18088.9294 New_CL(74:10)_feature1 CL 74:10 26886.1110 34708.0308 30551.2891 32528.1619 23090.4836 48821.1993 45496.1660 60046.4861 43998.6292 40331.0867 220.2232 229.0634 230.0251 233.7060 245.3057 247.3720 42987.4347 43635.4037 44240.8306 34829.4677 44248.3460 46103.9555 49301.6006 36689.4539 13636.6399 14253.4356 23539.0083 24708.2284 41625.0806 34126.3310 37496.9974 47612.3389 38229.1232 38214.3298 42641.5751 39502.9220 54114.2222 41315.0810 56827.5360 28037.1141 42177.1066 47809.7550 45296.4444 53255.2572 48038.0176 40440.9047 41998.9866 74967.3383 47436.8716 45847.9446 10780.3790 47574.7109 32352.6319 57720.5641 48974.3042 43006.4653 38201.3182 54197.5111 42937.7371 37904.6601 43313.5798 37731.2414 46778.2567 56595.4172 49259.0179 55812.4136 47405.3830 66082.8492 New_CL(74:11) CL 74:11 116927.4336 158128.0667 122755.2435 130927.1527 115610.3776 159530.2006 193205.2826 169395.4964 185981.9189 133460.4074 244.1667 247.2345 278.9938 255.7431 258.8396 258.4378 155091.5554 158771.4920 168786.6708 177829.5289 163140.6885 155782.3356 162441.3939 160923.2452 85267.3346 82439.7664 127504.6440 130119.5294 140810.8238 127085.8234 142782.8323 189274.1013 128423.5807 131409.8445 147178.4230 118651.3268 180041.1649 135812.3211 204956.1441 126858.6160 130177.1249 157653.7090 172443.0170 138709.9156 161894.4439 133394.5533 162641.1110 191493.0707 177963.4441 185315.5303 73759.8334 177624.7783 140598.9587 178990.7515 174490.4424 175470.0774 132630.4890 176591.7640 172858.4073 153293.8892 167055.9571 167277.0424 161365.4627 188729.5207 170215.2374 169673.6583 163909.3597 227167.9113 New_CL(74:9) CL 74:9 18959.5611 27178.0678 19818.8042 21057.7652 19962.3977 25449.7715 24341.5209 34129.3538 35499.4895 25174.8430 211.5079 221.8671 208.4297 225.4931 227.9808 231.2256 28731.9345 28664.1558 25685.0488 27231.1010 26077.9860 25571.2657 29321.2728 28421.5735 7630.3092 9242.5844 13400.6850 14473.4098 24125.3817 26581.3680 27465.0951 21323.3101 23313.6040 20974.0442 26345.5209 19113.5905 19977.8733 21643.7199 24381.3174 19257.1690 24158.3321 32377.1818 30288.6083 24566.2555 31365.9236 29497.4925 23612.7237 35242.8939 32776.1593 31514.5748 8953.6489 34063.3802 22144.4698 30618.7934 24558.1954 22144.5789 18545.1682 24226.4407 27297.6880 29220.1629 30405.0947 16189.6005 31002.4746 32000.7641 25439.3021 31536.9358 23029.3030 37537.3881 New_CL(76:12) CL 76:12 30882.6523 32521.7594 31372.7878 32708.5470 26323.7435 51270.9894 50695.0932 68760.8126 61045.7480 52094.2109 204.7029 204.1371 216.8730 190.9412 213.5118 220.6913 50158.3459 54489.0105 52079.6010 52013.1933 53303.4190 56148.1888 51961.0198 50299.5279 14910.0245 14567.8166 20957.3073 22530.8141 43901.3517 33108.9668 41399.9952 56413.7447 44626.7876 39523.4788 51679.9394 49332.4634 79486.9659 47893.6191 54811.1197 32934.4874 39779.8192 60797.8467 43235.0504 62735.1833 55658.7204 60696.6852 49340.0348 105872.3052 54717.6479 58849.5901 12434.2645 49945.6951 38783.8591 58712.6807 66165.2340 39817.0432 41355.1046 56496.3306 40566.8364 37778.2550 39253.0386 41874.5508 45584.6331 64408.9328 47942.9843 55512.8177 41979.6904 81932.2284 New_PC(40:5)>PC(20:1_20:4) _M+H2CO2 PC 20:1_20:4 187773.5895 201327.9783 178104.9475 184109.3263 210706.9935 310058.6658 275628.6312 291139.4841 304830.9407 260385.9805 273.4821 255.7791 247.0867 279.7293 277.1217 297.6992 276287.1503 276813.5703 259849.9967 262030.4854 263737.6996 266299.4135 279220.3708 270987.1596 128569.6761 129083.3971 169141.2379 159863.3337 201714.4419 182579.6653 217058.8041 239546.4857 188936.6944 222241.5430 267766.0676 211653.1003 260415.4457 236123.2077 265834.2840 161683.6119 193286.3667 226928.0699 202837.3449 278690.0796 287239.7246 246510.5101 226046.6922 343285.1764 328509.2667 299664.7437 218415.4221 273269.3679 220016.0685 324085.2245 344214.6730 335963.7621 283915.5208 364316.0750 241127.8453 193021.6949 236440.7343 264107.9448 303927.8969 362090.4479 342955.0110 313077.9198 303844.3337 439223.6059 New_PE(O-39:7)>PE(O-21:7/18:0)_and_PE(O-17:1/22:6) PE O-39:7 38802.6150 68031.6355 61625.2345 55862.1234 62480.6390 68376.9660 121147.1469 115650.3869 72293.6245 54889.1000 256.1944 284.7809 272.2353 266.3824 289.6514 297.3963 54609.5504 88815.0126 51215.5851 80418.5196 86476.8969 77436.2560 75840.8226 53723.9140 74109.8841 74151.5813 88560.8899 83505.1268 70073.5870 65334.1180 65885.5928 46472.7627 71738.7584 86777.2985 72349.4143 47379.1969 59992.7451 79201.8124 69143.9465 46924.6534 58924.8949 63793.1810 57959.7984 61135.9100 96447.0341 47130.0444 54808.5226 67845.4781 71241.1118 55907.1344 35115.6469 73375.9693 37294.3571 116630.2685 65347.2994 92492.4337 55893.3689 83446.8576 73336.0535 52646.7009 48518.0095 75805.7870 42522.1669 70860.2358 64605.0370 54837.9350 78901.3480 108379.3343 New_PE(O-40:7) PE O-40:7 18129.4407 23342.0466 20075.6299 16099.1863 18069.3374 28491.5872 30768.7319 30524.4500 29846.3701 18700.0031 182.8801 179.2966 185.5973 221.4001 203.7920 212.1722 24789.3568 28612.5054 23731.3919 24993.4971 28596.5640 22956.2124 25326.5468 27068.4077 13807.6168 10936.5801 19035.6723 16612.3708 22459.0088 19010.5443 22454.7500 26899.0261 20082.9612 21451.1520 26497.3209 14568.8741 19919.1051 19154.9276 29850.3546 16441.4758 14337.4946 22369.1806 23355.2880 22578.8476 26374.2526 20059.4145 16974.6211 29833.8387 26022.5574 27413.3455 15508.4535 29165.6259 19429.6343 33768.1581 28965.6612 30065.7072 22763.8801 34509.9892 36243.5569 26593.3362 28618.4642 25643.0262 30100.1307 31669.3415 32428.6194 31768.4479 22128.7210 39471.7239 New_PI(38:4)>PI(18:0_20:4) PI 18:0_20:4 2206203.8920 3138425.6260 2417268.5940 2452708.2000 2457737.4950 3452857.6020 2784291.8910 4119373.2580 3305328.5690 2605917.5940 342.4817 337.7108 333.4287 435.5195 404.9576 413.1165 2817417.2010 2684069.4240 2732053.5170 2630590.5270 2540390.0930 2652596.8130 2740423.4980 2821851.1310 1143035.8440 1120292.0650 1532231.5600 1594455.0120 2603639.4910 3170530.3870 3143027.0060 4024344.6890 2605858.4410 1910442.6980 2531274.8250 1966850.5570 3264796.6680 1891206.4540 2990693.5220 1833711.6940 2505281.5780 2624681.9060 2852711.3960 2687178.8600 2725778.8620 2316206.6820 2055114.6770 3257263.8800 2682526.7700 3051925.6620 461622.8614 2870727.8970 1977790.4780 3490487.0650 2663785.3690 2034279.5080 1959460.0220 2877095.6640 2647719.5020 2623446.8850 2416463.3890 2559021.8430 2786849.1210 3249552.4570 2565315.9990 2908538.7080 2348713.9480 3590827.7490 PC(30:0)>PC(14:0_16:0)_M+H2CO2_feature1 PC 14:0_16:0 70781.9333 64802.2593 77475.1214 83518.5186 65418.0105 84026.3746 67012.6838 90209.1246 80645.0893 61031.8213 212.9217 218.9861 176.0126 224.6226 205.9301 214.0767 78771.1892 67993.8457 74056.8888 65590.1181 80155.9828 67573.0948 78437.7420 71469.1836 44687.7697 49027.7144 53763.4103 51624.1220 81352.2090 72063.3356 68382.1762 70595.2697 74809.2288 70057.5555 62146.0143 66500.9405 74859.4601 63959.9323 140490.6490 65773.8053 63108.7045 77675.0803 74916.0747 78057.8671 67330.4953 63351.9019 64878.7298 78322.1576 66359.1458 91902.0261 34039.9464 75916.7884 76623.2295 87338.2599 75564.9545 74522.2850 70381.6752 83221.1127 81432.0461 75643.6178 70550.0443 65934.8408 62804.7387 72445.2362 66900.0543 65753.4414 64016.9028 81833.7664 PC(32:0)>PC(16:0_16:0)_M+H2CO2_feature2 PC 16:0/16:0 700927.7584 813396.1298 730132.3415 713449.3541 746186.9665 930261.2630 920057.6402 1048067.3900 1018016.2290 757527.3488 228.4213 254.1241 243.1347 247.5635 269.2680 266.6583 823451.9390 797631.7192 813551.2770 791610.1904 806491.8050 801752.2405 797854.3687 824726.0550 514143.2375 506828.1957 540909.7754 516189.1783 730903.8523 805796.3255 767619.5933 888079.4394 789604.6059 740721.1641 894158.9040 768679.1641 769108.1048 696470.1055 1162920.0730 624295.4632 760226.3552 776824.0818 864782.9350 846428.0808 846277.3944 860806.3728 702166.8027 974742.7316 860719.3214 980947.7762 504227.9941 819099.8822 657167.5937 945529.2669 816011.5391 789369.4309 765795.0076 1001376.6360 711812.3323 897147.6013 666056.8917 653136.3504 714538.1145 723850.7869 733663.4586 658495.2795 635119.3286 789507.9690 PC(32:1)>PC(14:0_18:1)_and_PC(16:0_16:1) M+ H2CO2_feature2 PC 32:1 182501.9602 267516.1436 219139.3328 237355.3283 179068.7470 199386.9688 219322.9827 196265.0776 207393.2183 176788.6248 294.7238 280.7794 261.6898 214.4982 203.8735 219.8792 173253.3724 189942.8977 199445.9246 192939.3257 219101.1127 173476.8164 156382.4765 208188.9743 160176.0189 69389.1509 249224.6968 159592.7811 182647.0002 221315.1246 197598.3165 236413.2272 273223.0584 150655.5856 181787.1900 184731.3577 184706.9285 201431.0708 462145.9579 230281.4395 112133.1565 155021.5126 145175.6962 220598.4762 211432.6570 169560.4723 145067.6991 196447.8979 161143.9147 267434.5941 91362.8740 186699.5112 207750.2851 307738.1115 143454.6018 152987.6468 220950.8510 242225.0547 278334.0562 206753.8861 194669.6371 179941.3180 151765.6963 140976.6003 200028.8936 109744.3109 119276.0406 140100.7920 PC(34:0)>PC(16:0_18:0) M+ H2CO2_feature3 PC 16:0_18:0 157519.4536 138869.1364 139085.0186 136540.1716 147630.9786 201516.1747 182949.4939 233025.7111 214690.7890 156217.6196 232.1637 248.0094 237.9291 257.5723 266.1600 260.5486 170875.8277 172829.1230 164328.2324 167661.6695 167408.8963 168532.3263 173696.4309 168368.4861 118791.6695 117226.0737 119241.2970 113620.2929 149822.1792 152409.2583 155737.9418 186207.4809 157384.2319 152521.2043 184905.0775 150945.1349 161464.6142 140728.3634 210383.9383 107691.6010 154866.3804 163603.3670 172165.6792 161294.3131 181401.3874 150786.2809 137434.5908 202163.0351 183640.8629 215862.0948 103620.0248 174562.5093 142840.2826 188083.2941 182537.6618 163445.8899 149080.8584 222262.8598 153576.8532 169343.4688 134737.2162 145246.2167 146172.5784 181303.4377 181790.3700 157852.4650 143242.7857 198879.7330 PC(34:1)>PC(16:0_18:1)_M+H2CO2_feature2 PC 16:0_18:1 3470368.5030 3898218.3460 3781219.2530 3699830.8830 3597001.2340 4323035.0330 4447741.5190 4522228.6260 4537110.1190 3531610.5490 295.8057 421.9936 337.8921 330.6448 333.5208 932.6744 4120412.6340 4090705.2490 4053168.6120 4126737.5950 4181682.7930 4168787.1330 4196690.6930 3986511.6740 2377025.7560 2237185.3640 2900931.9170 2713398.7120 4110301.8380 4140071.0470 4026047.0560 4242552.8210 4209642.1740 3529979.3390 4253221.2900 3684929.5020 3798022.8690 3583373.4310 5837300.5850 3271646.3710 3553419.2890 4138878.1370 4341775.9900 4258112.5410 3756874.9850 3675980.5370 3655311.8540 4835616.5230 4409420.8380 5197027.4180 2549399.7720 4383324.6680 3439967.9160 4994359.8100 3900669.9140 4026671.7520 4180836.5740 4836805.3090 4193796.5320 4141520.7530 3992642.3710 4231980.5500 4027534.6270 3924494.5460 4064202.6510 3749099.4590 3768983.8050 4786346.4900 PC(34:2)>PC(16:0_18:2)_M+H2CO2_feature1 PC 16:0_18:2 6514792.0910 8108977.7340 7012349.6970 6396623.7820 6126143.4490 7106576.0920 6921475.6250 7356604.3910 7283189.3790 5298152.6430 229.1830 298.6857 789.4390 234.8285 862.6722 2016.0332 6814568.2880 6449033.2910 6428110.7180 6844620.5930 6332022.2520 6384080.2970 6542534.9500 6821043.9730 5065031.1460 5487339.1180 5855451.2600 6163365.3590 7336232.6020 6793454.0620 7082226.8150 6386737.6430 6031105.3800 5272701.6400 6097751.0120 4924172.0140 5203900.5100 4713913.6870 6957539.7570 4989910.2320 5718211.8830 5898695.3990 6537074.2920 5732795.4660 5583086.0570 4449643.9730 5301656.2070 5918640.0060 6758437.8910 7653520.9950 4723309.3410 8291646.6830 6273353.9120 7970940.1030 6544743.4510 6567590.2410 6243705.7730 8044202.4310 9054767.2050 6922826.9390 8448077.9830 7308252.3010 6751968.0020 6621729.9170 6695651.4590 6350405.7130 5850592.0450 7446242.6320 PC(34:3)>PC(16:0_18:3)_M+H2CO2_feature3 PC 16:0_18:3 54331.7450 69055.5397 47919.7937 33761.3809 39106.5383 32211.6840 29621.3221 39447.4709 35594.8246 26165.4547 171.2197 172.5990 170.7863 218.8417 228.0005 221.5926 43765.2881 42923.3408 35013.4437 33149.8727 32797.7360 34323.3843 34508.1101 51041.6900 19720.6905 23741.7774 25370.5845 28738.8060 69070.4213 46897.3127 71157.3527 52505.4091 51017.8274 24472.4714 24026.8708 16059.1332 25150.9419 23460.7916 55086.8575 33353.1762 43014.1560 45214.7184 59697.9280 23667.8282 23639.8984 19607.3601 23995.7812 26879.1318 56378.9568 74091.3447 34171.3536 82203.6396 54041.5589 39996.4790 34759.5404 30540.5216 30497.3608 41802.6784 111359.4597 41753.9955 98461.3515 67441.3761 63598.0385 36393.3835 26745.1720 31767.5365 30004.9244 43693.7508 PC(34:3)>PC(16:1_18:2)_M+H2CO2_feature1 PC 16:1_18:2 36845.1138 78614.5060 86356.8202 59888.7312 45950.4478 64115.2121 64545.9370 55184.0518 46164.8698 37395.3584 207.9524 202.0019 207.2683 249.6652 243.7907 247.5815 63276.4896 64586.1579 58283.8990 60270.4451 61582.7337 62112.1468 65345.1120 60939.2205 46894.6626 47584.0163 64188.3287 76012.1252 45122.3153 52683.8390 67709.1125 44135.0520 51864.4534 48939.1828 51175.4367 43568.2234 37832.7992 50181.4389 82271.9160 41129.2065 56298.6523 42363.1406 50725.7884 59187.7292 48350.7696 39736.1211 31743.6081 46951.6631 63231.1015 61937.3256 40908.4186 82173.6603 50681.9357 76142.0015 52692.9193 73899.6401 55302.8708 66963.8742 97602.8206 78837.0455 69347.7725 35875.4196 68656.4973 21530.9306 62119.8032 51957.0489 48467.5881 53077.6136 PC(34:4)>PC(14:0_20:4)_M+H2CO2_feature2 PC 14:0_20:4 23845.3255 22805.2817 28927.1436 22837.2406 22993.1679 28434.9052 22470.0428 40245.6138 32912.7492 22512.7441 177.6600 180.6232 192.7377 204.6792 188.3702 194.5153 27691.2840 27886.5647 26709.9764 26137.8967 27034.5196 27899.6564 27251.7601 27486.5457 16669.9634 17103.4950 17647.5287 18464.5231 29713.1846 17201.9940 27631.3727 28806.0779 24735.4042 22959.4897 22148.5854 19040.8445 28692.4099 19547.2310 32465.3659 17893.0875 21889.2426 31252.2578 21722.5502 25606.9223 27394.5287 18200.3397 19307.2870 33765.0119 32585.1500 34641.7331 12564.2191 31635.7026 22534.7745 40034.8867 33150.7496 23973.5814 25587.3956 33995.9086 29761.1266 29540.2995 29197.2011 24488.8257 27045.6250 29123.9974 27710.4691 26541.5588 22685.2941 42411.3872 PC(35:2)>PC(17:0_18:2)_M+H2CO2_feature2 PC 17:0_18:2 90595.1934 113457.2728 99266.1760 82828.2714 71595.4377 118837.8372 103927.0795 120728.2245 109908.5803 74806.5631 210.0225 205.0525 206.6671 248.1304 244.4988 241.6372 100428.7194 103631.7595 104068.5841 97636.1564 97006.9166 98086.4202 104536.6197 102665.6898 85741.2593 94528.2556 105584.7777 118150.0102 106511.7019 89898.2765 121779.5663 98834.0072 82144.8587 75840.5165 88034.0144 63429.4201 67795.3152 61939.0777 107788.1790 68262.6585 82609.2822 88060.3287 99621.1343 83265.8717 77289.6993 49865.9159 81687.4650 87819.2354 114910.9206 117644.4566 70759.4784 134441.6923 89178.5027 127740.9147 113891.8328 112539.1507 84262.5037 124747.3836 153299.4212 95320.9790 146174.7476 122470.7108 117828.1707 122966.7199 122674.8287 99953.1220 91894.2138 143052.9370 PC(35:4)>PC(15:0_20:4)_M+H2CO2_feature2 PC 15:0_20:4 38640.3231 37150.6778 39846.6620 31242.1514 32310.9104 58740.5863 53452.1845 75206.4120 59054.1384 44091.5579 192.8468 183.7660 195.6585 196.5313 186.1597 203.8880 47538.2952 49873.9296 46363.1866 50186.8253 46911.1667 49887.0870 47567.2479 48222.8510 39779.7760 38538.0497 41272.9607 41059.1640 43601.7901 34390.2818 50749.5301 57055.2890 44533.2530 45083.2648 53455.1932 42365.7559 51590.2963 37706.4744 48297.5360 34269.4309 41240.8868 50322.2351 42104.5732 50522.7621 53184.1963 38640.7033 42802.4958 62471.7616 46323.3066 51286.7801 21234.2286 49852.5031 34138.4081 72086.0498 64517.2407 49316.5678 46871.5090 60240.2588 42328.7683 52106.3328 42753.9543 42396.7986 46938.3572 61272.4598 54472.5668 50704.9197 43809.9539 66479.1944 PC(36:1)>PC(16:0_20:1)_and_PC(18:0_18:1)_M+H2CO2_feature1 PC 36:1 470788.5780 512340.0920 442055.1941 508161.4802 436102.9985 667795.9885 655423.0283 643467.1342 669136.4067 506143.3069 331.2985 334.9959 337.2404 399.8344 372.5388 351.3236 623112.4563 626171.2922 593060.0972 622693.1943 611859.3625 604225.8822 623184.4715 621232.4239 340465.3735 338398.5454 432252.4746 419373.8396 554472.8408 600591.8989 560569.5912 651343.6765 553691.1741 536306.1919 580808.1941 480527.8532 546198.3094 495857.8001 1082335.7410 492514.2674 523655.5121 632566.3256 733042.1783 557354.9910 647446.8969 478563.7225 557127.0951 753993.6767 746012.0024 825065.6848 473430.9296 729582.0333 518319.6078 669495.1662 674278.6144 680126.2103 472241.0128 807789.5692 657857.2193 540241.4962 581248.6866 623041.3100 690285.1791 653467.5449 754102.1926 643549.3038 632229.1907 810889.3531 PC(36:2)>PC(18:0_18:2)_M+H2CO2_feature3 PC 18:0_18:2 1936614.6610 2460735.5910 2146748.8950 1935153.2950 1871707.0610 2447884.1180 2468741.7620 2265635.1330 2539485.5160 1791210.5510 229.7291 223.7006 222.4945 276.4027 298.0822 277.8312 2387545.0050 2452057.3900 2388958.5960 2408035.1780 2431438.5110 2281919.6940 2421485.8070 2455427.5200 1710553.2430 1729787.0660 2421352.6180 2398145.0350 2410945.0340 2045683.1510 2454091.2020 2292500.4620 1834677.6530 1956932.0110 2172667.1310 1581113.4160 1804227.5850 1805102.5420 3059039.3530 1702100.0620 2001712.4020 2176197.4740 2408704.2510 2004606.7490 1981366.1400 1567277.9820 2162273.4760 2172424.1110 3110539.8910 3053917.4540 2351471.8690 3310095.6360 2340705.6630 2461768.9620 2898654.7080 2971532.8470 2236620.4120 3128983.9600 3475878.0570 2148820.5950 2962821.7230 2825844.6960 2873080.1740 2635609.9920 2966932.5380 2473259.8240 2476119.6530 3390181.3670 PC(36:3)>PC(18:1_18:2)_M+H2CO2_feature2 PC 18:1_18:2 754449.2378 876908.1187 814741.7443 712659.9125 647910.3009 943068.4054 946916.3091 818838.1378 907290.7999 645767.3936 259.1350 248.7217 245.5693 271.3427 266.2996 272.0383 888639.6113 859337.8434 845884.7491 864930.0243 840358.6276 849987.9923 853992.7601 891711.6912 683266.5805 702946.4669 931014.3502 892478.6551 935242.0990 732085.7382 920492.9835 877353.4795 793741.6330 716766.3487 796685.4006 605551.5242 735103.2563 657769.2799 1046358.2610 654222.1480 725138.6374 856306.4557 869303.1636 756540.1386 794110.3155 614216.4037 822106.7760 824701.2907 1015509.9050 1018422.0360 749699.1498 1061725.1010 707491.8425 979254.8323 915681.9732 1008211.7230 765680.2588 1121905.0380 1153989.9570 833684.9609 1059809.4270 1040259.0600 964751.2478 950177.7078 1007094.3340 909056.6750 855420.7370 1036892.5900 PC(36:3)>PC(18:1_18:2)_M+H2CO2_feature3 PC 18:1_18:2 404500.0961 546998.7818 477054.4927 273494.2279 405141.9675 399661.7660 282658.9407 306583.1188 437618.1043 253019.9629 204.5281 205.5261 208.1712 217.9818 219.6631 240.2244 365998.6759 380174.0966 372693.3345 356946.5635 372856.7596 373781.9691 371776.3179 369724.8855 275862.8035 187385.0295 268021.3321 284042.2610 407412.9993 391854.5980 377196.6705 351726.4943 337493.5374 273193.7419 237894.6498 240954.8376 268290.5599 219219.1661 391138.2059 241023.5836 326509.9619 335857.1841 370204.4228 281621.3695 251257.0880 271141.8801 236028.3430 289358.8941 372072.0450 421056.6555 256816.5829 447884.8050 356949.8628 432902.9009 310177.7177 319378.4228 374939.4960 394854.2844 510164.0940 440095.4358 327773.4052 376452.9784 379220.1589 338979.3544 232714.1488 246640.8086 292880.6576 324580.1489 PC(36:4)>PC(16:0_20:4)_M+H2CO2_feature3 PC 16:0_20:4 8780320.7660 9532529.4900 8715687.8750 7962817.1900 8420726.6190 10982598.1800 10109081.4700 11754575.5700 11582158.7500 9109423.6830 229.7258 336.4993 1056.3955 251.7340 929.6457 2067.4859 9182681.2410 9577165.6070 8953818.6570 9375819.1810 8760048.9290 9955618.9490 9180926.4210 9133166.6450 7223705.7830 7149458.1430 7512401.8620 7488155.1120 9391967.9770 9394856.2650 9594751.1640 9926470.4550 9422587.8590 8742588.5080 9924301.6320 8323807.3250 9698959.1030 7971638.8510 9911616.5420 7584989.3960 9140742.3130 9621584.6440 9170217.0170 9441087.8430 9636181.3440 8543592.4150 8129762.5190 10942251.7900 9118826.8680 10137351.0200 5675435.0150 9564682.3230 7702066.6760 11448800.6900 9430453.7980 8567598.1600 9493668.9440 10399365.3300 8729372.9360 10467190.6600 8033285.1900 8812531.6820 9193300.2850 9268860.1800 9125802.0220 8765066.0130 7786028.2620 10712533.3100 PC(36:4)>PC(18:2/18:2)_M+H2CO2_feature2 PC 18:2/18:2 363621.0188 474206.9190 418636.9373 363754.0630 310280.2704 466299.1467 564163.4718 421347.5790 463585.3419 331403.8551 201.5677 188.6356 204.1694 188.1885 195.3793 201.2776 462310.4852 456658.4637 452900.1032 474570.0872 445034.8341 491063.9454 436418.6395 464550.9184 369721.1442 363961.5417 519848.3142 481974.1344 500416.7280 421740.3592 498940.5034 466164.7678 359736.0957 390870.4109 417785.7952 282410.0575 377776.0226 308895.6957 605583.4988 330860.9443 358978.6673 381301.3805 425016.3960 349457.1911 367621.3417 289603.9987 472160.5131 370210.6453 564997.8158 559428.6795 432329.2634 640663.3396 437059.6466 459455.8060 557449.3646 579613.3470 378524.5914 582298.3009 707996.9701 462365.4425 575313.0559 502293.4764 541106.0448 448201.0832 470193.9802 448494.3157 389780.6240 518611.9481 PC(36:5)>PC(16:0_20:5)_M+H2CO2_feature3 PC 16:0_20:5 204057.9256 288676.8768 284354.2192 220621.0213 213528.4063 240777.4981 189590.3347 266535.5021 268943.0562 190426.7407 197.4621 182.5039 192.8570 206.8457 214.9974 209.6909 222606.1876 220591.9655 232917.5078 219230.1332 226380.7355 219838.6028 216670.4296 230135.7576 137164.8581 134518.8373 139841.4767 146038.8792 221171.0072 206276.3529 242559.3250 212927.6538 193110.3574 181038.2008 172706.7695 146664.9506 197202.1181 140594.5302 237970.1226 142210.7582 145080.6691 188085.6429 194858.3374 169262.7043 168890.0980 151690.6309 147463.6045 213331.0836 291384.9938 319366.8966 142079.5836 327448.7318 219705.5894 348185.6099 349285.4180 244835.2383 261052.3829 325519.3744 306780.3732 238517.3726 278624.6105 225995.3234 247286.4515 207101.6303 181554.7480 163923.7524 140015.1001 236227.6697 PC(36:5)>PC(16:1_20:4)_M+H2CO2_feature2 PC 16:1_20:4 54942.8171 59606.3566 81279.4420 49686.3625 52200.6364 81661.4471 76551.3775 91576.6651 80332.3766 47754.2706 188.7956 178.2963 183.0927 212.4226 230.0180 216.7967 61795.1986 62539.9631 61256.1386 71913.1975 58146.4156 60234.2819 67725.8638 60451.9387 41756.8844 44988.4684 43388.5382 58739.2403 66831.2450 61214.4296 68148.5251 57688.0970 68576.0052 64316.8924 61481.6492 57216.0658 85080.1144 54969.4451 72769.3486 46566.7592 61336.1359 61205.8808 57539.9554 63454.4688 54611.1398 55090.7798 47909.2413 86561.1927 100375.9305 73067.9578 28447.6558 65691.6328 45102.0038 99396.9177 57875.2017 54653.5680 55488.7924 81519.8923 76692.5537 87796.2547 60574.3734 49664.2064 50463.4960 53340.8561 59826.0209 62287.6703 42070.7685 77021.3941 PC(37:4)>PC(17:0_20:4)_M+H2CO2_feature3 PC 17:0_20:4 113762.0086 110237.4121 103944.5435 97001.7929 99389.5930 166129.9651 145524.0346 185383.9244 166433.4004 120278.4708 209.0704 209.8029 201.1831 248.5994 240.8117 239.0247 133089.1717 133069.1280 135773.3863 130285.3349 136614.1082 131773.1847 135923.2897 131876.9038 113352.8447 113538.5910 114868.6973 126482.2180 125051.7092 108903.9850 146878.4117 160342.8062 125110.0655 117505.2047 150771.5188 106778.2920 136818.9566 100573.6268 140685.8872 98427.7345 124972.0026 144392.0233 131477.2071 139582.4464 142410.8904 103599.0874 122653.4132 158492.5126 144175.0501 148279.1970 87251.2599 139934.1857 99713.5766 169732.9120 154072.8560 134904.0322 116622.4799 162721.3244 119303.0967 128775.9203 120580.6852 122559.8547 137998.1106 158021.6634 156384.4921 139642.9512 117251.2522 214905.9230 PC(38:3)>PC(18:0_20:3)_M+H2CO2_feature3 PC 18:0_20:3 90067.1061 127728.6634 101049.2888 97712.6531 92168.9155 110754.3979 115383.5775 83156.7511 116419.7293 92460.0668 227.4156 279.2933 260.3892 271.4092 294.3916 305.1218 105148.9529 116514.3434 108433.3082 107706.3494 107611.1670 110642.1571 110058.1118 109276.6129 51608.1502 45087.8030 83001.0416 80395.5329 109820.2727 88660.8324 103670.4544 108145.6470 74566.8041 76151.1119 88689.6703 66180.5403 81602.9460 83309.0651 142725.6766 76202.5415 88231.5382 107913.9002 109348.2377 77314.5695 79469.1116 77078.4985 84701.6641 87796.5605 130622.9647 145077.2362 99510.4761 150190.7816 111424.4509 100742.8134 103075.9635 104011.6716 98201.3075 136525.5950 160603.0404 110967.6551 136488.3552 124799.5674 143285.8399 115406.7536 120889.5881 110658.9830 109657.1708 151159.7435 PC(38:4)>PC(16:0_22:4)_M+H2CO2_feature3 PC 16:0_22:4 199927.7819 177316.6724 175240.8070 147565.0626 174857.8808 245711.2534 217626.9493 267415.5948 235992.3850 192217.9845 213.7567 207.6722 210.3354 252.7635 249.0756 240.7641 210338.2464 224310.1198 231094.0847 201607.2797 218232.2551 211472.2341 228082.0965 214471.5969 91556.2666 107553.0122 113005.7404 124850.2922 232387.1530 188835.2893 234657.7300 242982.9491 213846.1774 189550.2097 228709.3338 184110.2305 201345.8512 178208.4162 258230.8847 170087.7836 241950.0849 245558.8429 231581.6751 234929.1838 228897.5471 199740.4698 187368.1230 322055.7884 219680.9821 273814.3714 120950.8468 229613.6630 157241.3407 265321.0709 177785.5298 137586.5353 185444.3318 264075.4758 212499.8527 214830.0331 214290.4814 198614.3853 206260.2661 248678.7417 198319.8334 211420.3473 171850.6759 252899.4517 PC(38:4)>PC(18:0_20:4)_M+H2CO2_feature4 PC 18:0_20:4 2291868.7400 2653328.0290 2314809.3000 2438481.9050 2563022.9840 3548321.6130 3600622.5390 3559873.2390 3856005.5110 2942703.6710 234.8116 233.5093 238.0331 258.6525 250.0333 258.6160 3352130.7210 3285418.8490 3256902.9970 3244166.8970 3382406.0020 3367767.4340 3413650.7540 3189106.5600 2221940.2250 2088661.2870 2515567.8190 2504195.3690 2979432.2080 2489307.4820 3150956.6750 3371099.9030 2707383.8870 2931715.0880 3210780.9660 2619102.0740 3064867.9240 2739520.5830 3738197.8880 2545039.4730 3119184.1470 3428291.0720 3078317.3670 3194613.2930 3436068.5860 3091937.1610 3312988.5930 4119807.9970 3990531.9690 3822793.1750 2752665.3110 3368412.5380 2581532.4350 3234646.5880 3553842.5150 3504707.7260 2945633.2560 3858043.3840 2774640.9610 3311869.2540 2748027.1630 3023423.4220 3645279.8910 3837275.5690 3988995.3390 3847197.7780 3603322.7850 4512522.4860 PC(38:5)>PC(16:0_22:5)_and_PC(18:1_20:4)_M+H2CO2_feature3 PC 38:5 1533534.1680 1647208.6420 1542173.7400 1431060.8120 1486729.6630 2126767.7400 1908991.4520 2397663.1990 2079072.6770 1919519.4800 218.7844 223.5481 226.5022 266.7424 265.0482 245.7649 1845426.8720 1850937.2660 1722834.8860 1876073.0910 1769527.3710 1884913.5650 1761319.4210 1853074.3860 1142057.8920 1214762.6770 1348690.8340 1375268.6950 1722114.8890 1565302.8460 1578404.6670 1654678.5720 1515820.0240 1731916.7890 1907749.3750 1637805.8560 1949842.5770 1636852.6970 1750986.8860 1278352.5540 1615695.7660 1640301.9090 1509742.8240 1843744.8460 1950473.6380 1689648.9950 1598996.9860 2261332.7680 1813063.9040 1967877.1580 1102194.7800 1910819.7640 1534597.8870 2446158.3240 2121792.9800 2015763.1670 1957055.6060 2403748.9460 1637199.1860 1703042.3330 1624187.1310 1690275.8750 1754060.0760 2054611.7720 1861118.3700 1944243.1670 1754866.7370 2333053.5150 PC(38:5)>PC(16:0_22:5)_M+H2CO2_feature5 PC 16:0_22:5 209033.6789 141162.7557 204694.6106 165749.4487 198898.1454 195050.0851 190821.2452 218090.4963 197840.0550 173082.0594 221.6101 219.4350 222.2966 263.3909 244.6772 249.3712 214558.7210 208916.2802 202788.8028 232842.5899 207383.2292 211999.2304 209871.4064 213350.8723 53894.2819 78893.3988 91705.6295 88992.0878 242952.3036 188538.0416 244100.3180 263501.7278 264636.0180 156344.5048 170006.9889 151526.6965 184837.1692 150232.2454 275734.4151 226861.4183 252380.0795 289990.3503 261607.9370 184123.1441 165438.1626 188860.3224 164622.5054 237503.0065 277952.6782 272792.6013 138486.5482 233222.9013 196349.3927 222426.8820 197153.9953 157393.9655 179155.1527 224957.5287 233364.0734 219723.5709 220555.0064 218484.8663 226143.0199 175360.2371 170343.6954 171936.9453 143547.4029 194564.0584 PC(38:6)>PC(16:0_22:6)_and_PC(18:0_20:6)_M+H2CO2_feature2 PC 38:6 5075316.2790 5586044.7030 5297770.5450 5194793.1820 5402832.6770 5785981.0430 5924754.1560 7191033.2400 7088853.4290 5804810.1460 211.1299 470.9880 482.8495 234.0749 232.6211 530.5799 5845157.1850 5456321.6640 5369732.2800 5826637.2010 5772497.3160 5394581.5320 5608352.7810 5712418.8650 3285431.1960 3524558.0510 3366874.1690 3557740.2130 5856918.2870 5158385.6860 5591293.2890 5928895.9550 5498209.5770 5212704.7750 5586233.6060 5270011.4820 5570822.1380 4649208.3620 5973579.2910 4330051.0020 5225236.6470 5397996.3150 5474792.5320 5653331.3050 5345642.2530 5218161.9200 5036410.8480 6553309.1550 6199778.4760 6650778.3840 3401012.9670 5941068.6600 5717243.8130 6778806.0870 5849785.9570 5606865.6410 5749504.2380 6746354.0820 5225170.0670 6044197.2770 5071013.9570 5326515.0500 5263010.5120 5271330.7310 4898101.6540 4413043.0500 4052435.5370 6214134.1740 PC(38:6)>PC(18:2_20:4)_M+H2CO2_feature1 PC 18:2_20:4 476967.6731 504255.7057 474623.0836 381985.1026 391028.1736 638022.4075 624022.1020 584199.4975 637828.3133 474592.1787 190.7041 185.0116 189.5928 208.4556 203.5985 202.7536 532453.2238 572946.0089 540002.7274 526530.7237 555587.0956 528771.0999 545622.4243 554116.1583 425887.4391 422640.4651 432416.2169 493098.3722 581973.0191 449454.1966 615892.1097 592017.6304 448375.7055 486969.0084 545091.0325 419686.8513 505484.4447 393159.5129 752525.6346 439761.2161 526065.9502 535991.1830 574290.1922 533187.1190 546055.3285 505767.3280 524882.8889 577041.7167 659891.1295 655975.3262 478936.9340 668214.1801 410511.1004 560325.1527 655690.3722 630371.4918 456309.4565 693682.9432 529185.9473 569369.3182 465930.1100 466333.7953 601788.7228 538728.1662 561177.6886 494939.5956 466198.9927 624243.2535 PC(40:4)>PC(18:0_22:4)_M+H2CO2_feature2 PC 18:0_22:4 37427.0784 34614.9572 31425.7928 34473.0695 34607.1675 53589.5878 46626.4479 50104.6350 49159.7850 41756.4610 228.3026 222.7752 234.7072 249.6298 271.7671 267.7165 51532.7363 49033.5309 47374.6783 46459.2442 47667.4073 48906.4827 50044.9758 49734.3428 20691.5645 20823.1268 24958.6502 23739.1960 42921.4814 32932.5711 46390.8214 51874.0741 43020.3653 37798.9865 44665.8147 37485.6248 43581.9674 39707.0490 75982.5010 39096.8378 56443.5284 65235.4071 52932.8125 51856.8464 43521.1760 47699.5529 43730.6403 66868.3093 64075.3106 65632.4214 36996.5192 53155.2556 37821.2177 49200.0969 39068.7070 40707.7200 35986.3397 58705.0311 46405.1960 45730.6976 45427.6117 47368.7848 56855.9226 55337.7639 64340.4886 57334.9443 48513.6489 68084.8071 PC(40:6)>PC(18:0_22:6) _M+H2CO2_feature3 PC 18:0_22:6 753619.3633 793699.3735 685379.3155 738990.0906 829546.3947 993248.9939 917864.7302 979969.2432 1103535.7510 845104.9339 221.2709 246.2266 224.8750 263.8753 256.1385 272.8889 926947.8678 932807.7904 990250.2289 922579.2561 905835.7627 938459.2505 945568.2359 943704.1387 484253.5191 502351.4725 591423.8558 542074.5731 881636.3492 706911.7292 845980.6268 961651.2477 780258.0734 815079.8045 844483.5984 738497.6246 847083.9796 742635.9223 1117223.6020 677193.1671 802000.8612 922268.1057 890172.0219 868861.7059 950750.4814 838670.6481 853524.3247 1133074.5130 1236395.2350 1216026.2700 819036.0274 1104780.6820 926467.2159 912585.0697 1061095.7200 1010401.7370 818979.8404 1146363.2300 826168.9808 894823.2379 832290.7231 928808.2092 1035884.5380 955254.9108 1074017.7010 824010.1786 797995.8898 1244463.5340 PC(40:7)>PC(18:1_22:6) _M+H2CO2_feature3 PC 18:1_22:6 252248.3346 259195.4207 240362.9229 212770.4664 235906.3157 259154.2064 251076.4897 280840.6989 289378.4760 227714.3440 234.8363 241.4849 197.9496 245.1613 227.7322 232.2650 247243.0503 245115.1124 250347.6644 237254.8918 252474.6094 229683.6660 247824.8943 251889.1624 171676.5457 177124.4133 179082.2895 187291.5346 265241.2580 222933.1761 272856.5624 273294.0979 247045.5311 220040.5635 226041.5592 204075.3775 240887.5862 204107.9288 285208.3615 208336.3118 254427.3102 257214.5213 255267.4498 230499.9589 240441.9972 217937.4209 210335.4685 282272.3232 288318.9252 337081.0890 147379.0455 290316.9845 265290.4476 286508.2764 252134.1929 255342.4953 218395.4506 275261.7918 228668.6730 281560.2522 229724.8625 237767.1597 228353.8011 238278.4454 216765.5763 190856.3386 169737.9653 256300.8391 PC(40:7)>PC(18:2_22:5)_M+H2CO2_feature1 PC 18:2_22:5 35933.0711 47941.4558 36024.4926 35633.5326 35774.0853 58859.2827 57124.8120 71785.5911 62009.3509 53367.8686 186.1555 171.9477 181.5897 195.5048 192.2968 187.3891 58726.8941 51062.1340 48491.4834 51388.0645 49194.4111 51398.9710 53625.7704 55309.1134 27790.7451 27385.3602 31226.6495 31550.3883 42765.3205 41639.6626 40710.5224 44764.7349 36416.4856 54303.1926 62829.4711 42946.6960 54729.8486 49702.0041 54920.8600 31552.5586 38551.3865 42316.1185 39380.0747 52683.2236 56453.0710 50134.5032 48547.3944 68983.4738 59711.7945 68561.2876 41790.4278 69707.1893 44403.2896 77891.3384 71729.5579 73800.3870 57117.7557 74459.0189 45133.3616 46883.7082 51043.0113 46522.3032 57742.2475 64008.6770 58558.1350 49936.4881 45775.0987 72695.7618 PC(40:8)>PC(20:4_20:4) _M+H2CO2_feature1 PC 20:4/20:4 225179.3587 266678.2991 217457.3965 212191.0763 217226.9656 300344.6164 306262.4221 299386.4322 345866.6990 253596.2080 184.6234 184.1185 196.4215 205.9648 189.6887 186.5023 270881.5356 263696.0570 285323.1911 272588.6010 275119.4232 272023.7482 271359.9156 270807.3173 163300.9276 177174.4403 183636.1480 189481.8276 248785.4948 214770.6024 280384.2558 289293.9218 225704.0337 239151.3728 254067.1033 205720.2665 272940.7745 204413.9604 369157.7344 206497.2188 234830.8817 241474.8121 279133.6560 255129.7866 275552.6416 233745.7922 246211.0985 310275.4770 358527.5463 368424.4227 241143.4562 352838.7807 254711.6794 285130.1003 330071.4516 319727.0804 229311.6138 366210.9437 253816.7305 282443.0841 232633.2800 237891.1914 295613.1650 238431.2349 268245.8260 219091.7659 197616.9118 322617.9549 PC(O-32:1)>PC(O-16:1/16:0)_M+H2CO2_feature2 PC O-16:1/16:0 61331.1228 64904.8033 69392.3229 55054.8061 68940.6627 89149.0547 90060.3544 105966.1557 96595.5185 71731.3406 246.0104 265.6398 279.6878 277.6674 271.0950 303.4966 63869.0070 65351.2699 62939.6456 66128.4422 69515.5478 64919.7860 64731.1951 63084.1640 51726.8587 50083.1687 54817.5920 53137.5334 65971.7312 56941.0935 66174.7415 70036.5182 66749.3171 59320.8393 73836.7927 61315.7116 62324.9529 54897.0825 69624.1424 41918.8712 55818.1913 62872.0833 63129.1056 64179.1157 66691.7548 66338.2519 55134.6711 76147.2512 60810.5768 68433.5813 29567.4042 62362.3818 52041.7647 85667.2571 63639.9689 63581.7450 66394.8571 79897.8917 61238.6883 77775.2613 49244.2628 46830.1302 51966.9923 65841.9883 60844.9512 54433.0428 50047.2299 69887.0053 PC(O-34:1)>PC(O-18:1/16:0)_M+H2CO2_feature2 PC O-18:1/16:0 46733.5475 49280.7218 43468.1275 64528.6750 41654.4460 49079.5781 48500.0635 55747.1467 51758.1420 27140.1701 279.6157 312.0198 298.8902 327.7334 335.8159 332.7639 45582.1541 45250.0824 45240.7200 46666.9930 51315.3178 47124.9267 49948.6869 40691.0191 35282.4547 34228.7324 38773.3173 36806.2784 34942.7559 76099.1821 43980.3613 64473.5135 52603.8138 31758.0489 35470.4705 28734.2499 33364.2122 38478.5171 200268.6830 63922.2771 38129.6249 54611.7771 99087.2374 34678.2276 50231.1676 27550.0560 33324.0272 43812.6032 41338.1059 84972.1009 36034.4439 65461.5577 35025.6319 43084.0854 40782.2279 51501.9341 31030.1019 48664.4899 34220.5775 44578.0654 34602.4968 31826.0149 39673.3941 30255.7626 44653.2163 25632.1246 31348.7627 29510.7602 PC(O-36:5)>PC(O-16:1/20:4)_M+H2CO2_feature5 PC O-16:1/20:4 111503.9713 110029.9122 101192.0861 86865.9811 112840.7018 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88313.3350 116935.4780 148921.2611 126933.7484 125396.0453 112350.8818 143835.6545 107152.0443 97860.4312 111280.7112 90104.1597 114659.7517 PE(O-38:7)>PE(O-16:1/22:6)_and_PE(O-20:7/18:0)_feature2 PE O-38:7 3843673.7280 4549839.5960 4312960.3480 3882797.5930 3867717.0920 4462231.3580 4842244.4090 5322454.3720 5521792.8400 3590872.9770 332.1331 326.3303 320.0954 417.3799 404.6437 401.9785 4676192.3450 4431492.9950 4503900.7140 4366298.1900 4588640.4010 4510388.6800 4449077.4350 4621937.7090 2259793.9160 2325845.0150 2706489.5320 2678751.2520 4786543.2490 4186877.1070 4904169.3260 4727172.3800 4172268.1680 3912931.5170 4394336.0990 3608960.3270 4026533.9910 3559131.6550 5577021.2130 3286396.9510 4242689.7600 4417265.6110 4717282.9400 4087115.0990 4203264.4500 3460235.2650 3603930.6770 5397490.2140 5423094.3640 5680295.7760 2923147.7590 5428896.4240 3958196.9950 6003890.0960 4954976.5390 4281367.1570 4779234.3160 6021181.2350 4829039.3200 4425504.1550 4666400.4650 4314555.4520 4774135.7950 4181586.1190 4399747.6810 4173884.3780 3618750.4260 5300474.4420 PE(O-39:7)>PE(O-21:7/18:0)_and_PE(O-17:1/22:6)_feature2 PE O-39:7 137652.2768 149879.8378 136167.4134 121339.7316 125628.7247 178057.2131 156738.5347 197454.2692 176347.6081 132330.3900 210.7222 206.6021 213.6915 235.2731 227.4810 231.4202 147840.5395 152369.9024 145982.6426 150312.6634 147683.4896 152922.0926 160337.7415 139704.0103 123763.3051 111292.0218 147206.9057 138130.1843 145753.0747 130479.9640 163469.1089 174527.7147 149533.2295 125482.7186 163024.3786 119220.3579 138204.9865 106327.4490 154304.3415 117973.4011 141857.3256 150026.3219 144546.6210 139877.6376 143815.4152 111785.4817 134281.8736 160454.7388 163825.2303 167858.8621 83414.5999 152946.9768 123768.0292 182716.7582 160514.6722 147822.1214 132010.3721 166425.6209 155861.6682 155303.5645 146224.0624 139642.1686 137138.6478 160714.9807 141242.0969 136163.1558 119927.0911 187647.1152 PE(O-40:5)>PE(O-18:1/22:4)_feature4 PE O-18:1/22:4 188519.9301 189979.1795 158288.6886 169554.7619 150415.5270 272391.9884 239613.8013 307624.7728 254713.2353 175110.9617 191.5642 242.1694 237.8505 202.5103 255.9620 283.8065 234871.7145 210857.0399 222314.5463 208176.7448 213518.4684 221804.5127 219652.9449 227004.3677 152929.0584 161093.1348 168471.6294 165047.6795 201351.9214 218910.9520 230742.2319 257365.5698 205817.7147 177791.0039 224832.1590 174498.7232 188489.5223 171135.6375 386936.3887 182570.2442 214358.6947 246075.9209 270729.6780 230114.2550 238446.5503 189146.3182 174242.7489 288715.0854 191389.9859 277018.7658 115381.8181 245131.1327 142984.5740 245252.4300 214319.2392 207280.3046 165989.4848 286866.3645 186655.1931 207934.1723 198891.9654 177504.9395 207295.7280 255360.5230 259956.3452 245767.5198 209143.4034 261369.0467 PE(O-40:6)>PE(O-18:1/22:5)_feature4 PE O-18:1/22:5 816398.1622 1007387.1880 873495.7496 757664.8846 796870.5699 1421138.7090 1180040.7090 1681117.0730 1381879.8870 1104312.3090 220.0043 239.4489 219.5465 262.8200 269.2209 271.7512 1027998.3560 1081504.2930 1008090.1250 989064.7787 1063830.7510 1062674.3420 1011005.6910 1045611.0870 765424.0900 834160.9893 978684.7019 950048.8049 902201.5360 867225.6515 856980.8802 872116.6457 782148.7775 954434.1090 1248991.2360 918496.4926 1035455.6250 846216.7386 921658.6755 615678.7327 774795.3892 877318.0288 845538.0181 1146285.5730 1078546.3360 833730.6487 839143.1821 1263025.6350 921175.7820 961422.6944 486338.1908 990098.0546 785927.1759 1562795.4570 1284499.0070 1199822.9510 1112561.5530 1582384.1420 1060337.1380 887195.1877 1004227.8340 898965.5090 917292.7908 1322058.4630 1073183.5450 1193008.7400 916279.8477 1533595.8510 PE(O-40:6)>PE(O-18:1/22:5)_feature5 PE O-18:1/22:5 86122.0723 73012.2961 78114.6076 56607.3169 66532.1223 86314.0310 79383.9126 105888.6722 90690.7290 62917.4166 212.8995 203.7397 213.0320 266.2539 218.8454 221.3028 91452.5042 85655.5479 84510.3520 79555.3795 81359.6837 83767.3620 85865.9306 90859.4680 35851.8380 38021.2500 46186.9391 44005.6721 106136.7471 79387.1031 114646.4889 120144.3159 115369.9456 55420.7532 69476.8693 61086.3008 69193.7977 51621.1783 130824.3488 91575.3616 116794.3656 131854.3384 115089.0177 79205.8168 65435.4270 59826.4610 59077.4703 107265.5759 85413.4243 99685.9150 40697.6157 81711.7478 62562.4133 87576.6570 66784.7315 52385.6863 56343.2622 81911.1899 94566.7944 100372.3929 89417.6417 83544.8179 96876.3740 85008.0175 75180.6355 86274.8250 63190.8817 102173.6148 PE(O-40:7)>PE(O-18:1/22:6)_and_PE(O-22:7/18:0)_feature10 PE O-40:7 3489460.6700 3906031.8250 3639420.2420 3214532.4050 3423343.0620 4875796.5880 4368288.9950 5735866.7970 5195200.9930 3665721.0530 373.3975 418.9365 372.4933 446.8262 451.0168 428.4610 3697306.4280 4014486.8080 3676191.9330 3650995.8680 3781321.7660 3693755.2450 3735337.4810 3883032.8770 3125311.9860 3424244.8660 3409135.1630 3415241.9540 3773794.7180 3378856.4370 3889409.3990 3966429.3370 3527944.0150 3138190.8690 4091582.2930 3288119.0820 3695873.9940 3101969.1190 4125167.1170 2736421.3800 3356859.4410 3681469.3790 3850541.0020 3512835.8860 3712947.7650 2930102.7880 3108849.5670 4450863.5300 3874622.9780 4352869.8610 2210725.5670 4205768.7990 3387855.5910 4553469.2420 4174442.9980 3879485.7970 3697400.1350 4905140.7440 3626832.3320 4076055.1470 3489676.5070 3509306.9330 3640062.2880 4073542.9200 3916942.2120 3547609.4750 3027633.9010 4903857.2210 PE(O-40:7)>PE(O-18:2/22:5)_feature4 PE O-18:2/22:5 130302.4518 169123.0228 95987.1914 130971.0544 149330.2417 221316.1497 204131.4607 202229.5653 149230.6055 148431.7340 235.3433 244.1116 257.0690 259.5029 303.2716 347.2700 123400.1980 172544.1471 155528.3171 151839.9542 167439.8217 167419.4034 165411.5275 124107.1475 104421.2164 92394.4695 129552.2799 132807.3119 141219.0446 149794.8947 143964.3712 127483.1225 139111.5018 136838.5011 188311.0192 136048.0231 164013.2536 145159.7220 181426.1191 114082.0868 98316.5481 159498.0854 119748.6374 128611.7085 116405.3977 123284.3562 120232.2861 129642.7223 176847.5003 189315.5513 81935.1688 169638.4395 133665.3718 262465.8659 197069.8426 179028.3147 184975.4646 222606.6038 128512.9079 137745.0879 180728.3526 166235.4349 146981.4145 181926.5233 161507.7235 141023.3343 153738.9289 217362.5562 PE(O-40:8)>PE(O-22:8/18:0)_and_PE(O-18:2/22:6)_feature2 PE O-40:8 864692.0300 960283.3386 875956.5424 793716.9559 807140.3266 932228.5370 940995.7805 1048580.1710 1064846.7960 717629.5904 224.8814 226.8525 224.6212 292.6729 265.1444 277.2148 935813.0783 857226.7144 915967.3153 867004.9840 909871.2246 897678.6640 921164.9036 888682.2931 540287.9877 589726.8794 649279.2695 691084.9420 939912.9391 759988.4755 915560.5557 944310.5213 864473.2468 765253.2253 833000.7468 673578.7314 804771.9148 719556.8846 1213484.8690 648067.8356 869769.2642 926593.7090 957954.4244 838821.4209 849790.9109 664182.9612 696235.4375 980689.9836 1090364.9830 1242555.2880 514504.6051 1121750.4670 810564.8530 1081936.3640 913681.7228 848351.8906 771207.6174 1051737.4220 893808.8208 971821.2424 938073.1714 936263.0751 975107.6403 843663.6632 840426.8037 771339.0746 696523.2461 1010096.4740 PG(34:2)>PG(16:0_18:2)_feature1 PG 16:0_18:2 43474.6031 53845.0091 44301.5026 45108.1216 42074.4439 69590.2201 98075.8050 68178.0486 80760.7572 60797.1872 183.9920 182.4156 179.6820 210.8448 207.8710 255.6585 73872.9631 75548.1359 74791.0015 70551.1418 74312.3107 70608.1164 74143.2965 76238.5485 27594.4194 29262.7208 39399.7701 45187.3955 72898.5410 57090.5469 64267.0524 60103.6826 53837.2850 66489.9434 77478.1809 61778.6369 67420.6828 64577.1847 87608.4207 47309.1972 57291.2020 62658.7326 64399.4370 79419.1227 66047.1253 70233.7354 79603.9458 90377.3594 88463.0702 92482.7936 51109.9494 83529.4863 63976.0654 93978.7826 105288.4730 101245.3967 86006.0161 115862.4969 92098.0826 56102.1722 78049.8349 77087.0069 89488.3756 82275.5119 94387.8362 86407.7861 81429.4353 109171.2401 PI(36:2)>PI(18:0_18:2)_feature2 PI 18:0_18:2 91581.0103 143442.6533 103317.5948 120760.9299 102033.7433 167823.4751 137483.2180 161335.9055 155463.3018 97067.1694 160.7214 161.5769 155.2206 219.4716 213.0719 211.9662 131523.2568 124318.7003 124188.5828 121342.3426 128079.0961 124341.2588 127302.2644 128400.5277 39589.3423 41184.9696 72488.2253 74196.1871 135609.3256 148552.8831 140540.1601 200451.4631 114159.4021 82837.9860 110882.9652 81113.7159 128410.4626 83789.1300 234611.1638 75648.9834 104602.1640 125322.7736 157595.2207 118951.8691 103408.1445 89126.5408 98197.5026 143740.3538 135230.4201 171057.5348 24139.3680 157020.2317 89849.2072 163516.4152 143238.5998 113687.7999 86096.0902 154686.8954 149805.9103 124214.9497 128716.4690 109878.5360 127204.0703 137155.2486 130442.9450 123029.4101 106235.4873 167313.9708 PI(38:3)>PI(18:0_20:3)_feature2 PI 18:0_20:3 113662.8948 203498.5583 128566.1248 148238.2463 141009.0804 162578.7604 121932.6733 168198.3937 152857.9198 116814.8876 203.3893 226.5100 204.3575 257.0158 249.6996 266.2637 126587.1803 127066.1008 126553.8592 126539.7099 125829.9999 119833.2700 129650.2488 127837.0369 43478.1622 44275.9636 60425.9264 61326.9113 136659.7128 168339.2086 141764.3492 211808.4442 109767.1800 75717.7075 99145.6592 82198.7240 125485.3205 84004.3917 151622.9646 84114.0490 117646.0276 126672.5305 140566.5415 109171.3151 101611.5115 106894.6201 79695.0487 125341.6101 116982.4319 148413.1321 19154.3670 158442.4516 104955.6842 162362.5126 100741.8155 87938.5660 93472.9493 136207.1640 164229.2013 148474.2515 158242.3685 129464.3566 129877.8003 143596.3783 112783.1505 118758.1293 106713.3458 152978.5885 PI(38:3)>PI(18:0_20:3)_feature4 PI 18:0_20:3 31294.3374 46172.9899 34226.9755 29952.5596 34691.1037 42592.7252 31545.7282 47835.3447 42294.8718 31554.8486 209.0374 195.8458 183.2871 245.6495 243.9234 262.6453 30548.4980 30960.2499 33862.8982 31493.2382 34113.1099 32180.8889 31724.4632 30240.7180 9917.0300 10324.2841 12947.0212 14643.1272 36139.2889 38733.2654 41735.2110 47964.7829 29049.4267 18025.4798 26241.8727 23593.8207 33097.9221 18670.0490 41517.0430 20891.6839 36510.8738 35820.4500 37609.4934 31340.9871 27224.1476 23671.5975 18662.9617 34200.1288 30968.0731 40797.5013 4483.2653 33532.1581 18937.9740 40945.5543 25013.6215 20667.1441 19698.1839 28404.8571 37692.1904 38337.6191 35675.3152 30110.9070 35401.5436 36054.0512 30678.0091 34046.5479 29159.4649 43395.1965 PI(38:5)>PI(18:1_20:4)_feature1 PI 18:1_20:4 30484.1826 46438.6468 31222.4024 28332.0484 25054.4439 39826.6287 32221.4890 51418.3996 36495.4184 26746.8751 184.7367 166.6793 180.1311 219.9436 230.4942 238.3627 31825.5202 28192.0240 32257.3317 32103.1660 29298.3638 28888.7766 28347.6570 33615.8646 10102.5420 12769.4840 15309.9133 19307.4495 35386.1221 43239.3673 44134.4709 53569.1675 33602.0194 20578.2948 25524.2847 21008.1599 35957.9082 20691.9248 45448.6418 20957.2996 36119.2055 25864.9847 38663.8083 33254.2582 30432.1392 25429.5114 18768.9219 37275.1569 35165.5018 36008.9248 4801.2720 40741.2097 16926.0745 39059.0846 27548.5551 25307.5952 20582.3001 28813.8264 35271.4109 37063.6042 28522.3946 23792.2524 31646.2958 32598.0132 29519.0094 27885.0228 24609.6699 36221.0867 PI(40:4)>PI(18:0_22:4)_feature1 PI 18:0_22:4 47948.2792 67548.6946 47078.2234 47746.6448 48006.0266 85240.9181 56448.9262 93148.3748 72727.7385 55633.1259 202.6270 201.7459 205.9026 242.8830 234.3105 243.4568 59166.4095 58464.3664 57425.0952 55254.5688 56297.4852 59666.9147 61894.1004 55528.2350 21270.3327 21321.6985 26915.0771 28691.0660 52348.5643 62115.7073 64857.7293 79008.9671 50343.7688 38820.2960 53785.8352 42955.6131 69202.4806 47042.6072 64705.8772 40219.6458 55331.2156 57498.0532 62186.6329 64394.8814 50684.4463 53436.2692 42646.8451 70635.3704 46683.8659 61123.9762 5485.7856 57516.8749 36454.7699 79309.3464 46946.8937 42110.8417 39144.5266 56745.7719 57039.1068 57774.4424 57163.5128 52267.9318 53842.2918 79075.0620 54497.3625 68100.3846 53028.3974 78376.5329 PI(40:5)>PI(18:0_22:5)_feature1 PI 18:0_22:5 124384.0698 187740.6493 144127.5167 159619.8712 152073.2078 274275.6935 186168.1909 311309.8480 242738.2844 201241.1824 195.2410 196.4775 199.2947 230.6677 239.7529 254.9934 186556.2640 177611.6613 182127.1531 175924.1618 174207.8774 181730.3433 185939.5605 180782.7348 58751.8569 54673.8443 86787.7153 83929.7934 142578.7135 196496.7610 173090.7973 238045.6420 145135.7934 136215.0343 185197.2999 138511.8205 256657.4293 147780.4700 175137.3405 98850.6372 141231.7836 150571.6928 155428.7931 201035.3819 190437.1765 172865.2307 132116.4032 247648.2101 180592.4254 201064.8739 20687.0024 181749.9702 116867.6788 314062.4107 208442.9773 149939.7572 165250.3242 241048.7429 157297.3567 153707.1401 154212.3465 145125.4835 155264.6497 243432.0247 156120.0113 202961.3643 158845.1426 265143.6972 PI(40:6)>PI(18:0_22:6)_feature2 PI 18:0_22:6 147799.6480 200187.0921 161293.0793 186975.5212 179439.2111 211532.7219 160075.6905 252494.1681 205562.1404 169817.9216 185.7124 172.0012 178.4293 202.6187 204.9914 215.1393 174062.2388 175016.4103 173128.8363 179770.6360 167063.7397 172742.9630 174074.6286 176869.4647 69840.4873 78934.7046 88632.0961 99753.7507 174401.2727 217061.3188 203464.2069 271430.7672 167504.0717 126436.0164 151245.8148 139354.6518 234765.1343 134444.2052 212269.1993 135580.8697 171141.8766 164209.8267 196602.0848 181532.0887 169568.2249 163251.9797 127124.3272 219815.6011 206020.9023 236828.3812 28006.0748 215970.7316 138740.2579 215685.4129 171896.7369 123690.8603 128842.5530 184883.5293 152579.7458 179744.2825 148021.5943 159004.6068 171727.4635 186524.3365 132538.6122 164677.0607 133923.1928 207260.8219 PS(36:1)>PS(18:0_18:1)_feature1 PS 18:0_18:1 149809.4657 168754.6149 144652.5356 175389.4849 77789.4192 196797.0901 169949.2255 268852.4157 203601.0668 133334.3762 250.1519 286.4094 284.8019 283.4848 317.6049 329.2804 148968.6266 157219.1438 149492.6991 153927.9908 148012.8501 154223.7644 156349.5547 148690.5115 150693.8762 139373.4305 160038.4055 162311.8758 150146.1463 245232.8651 149646.5874 280063.6520 191111.6346 111469.3051 141297.4465 128384.2111 150296.0072 110861.3341 460809.7662 111804.6095 142588.0381 181551.4797 231835.1054 167481.5717 160653.1399 124991.9555 130046.9938 163201.3902 112905.1755 173567.5107 8950.9246 208310.0496 153336.3526 139281.3951 107436.6922 137463.7745 37460.4250 57860.6178 156573.8891 179416.2893 147582.1042 108126.4952 113552.5449 139293.9631 176328.8323 115311.9359 128479.7520 154963.6060 PS(36:2)>PS(18:0_18:2)_feature4 PS 18:0_18:2 65412.3934 92956.9125 84284.2177 67071.8843 40644.1860 88822.5053 87669.2851 106561.8507 95632.6196 60669.0787 236.1227 239.6409 227.1968 290.5781 275.7986 275.0865 63943.0030 64517.8891 65984.8307 62986.8600 68165.1552 67546.1628 63439.3539 63289.3630 48545.1939 56715.2492 69169.8518 75635.3460 77649.8856 81910.2299 88162.5679 85629.8259 68686.1288 46923.5965 67616.4975 51605.4217 63082.5929 45732.5094 91716.8480 43022.3796 64568.0284 75230.3039 80299.3347 69939.0787 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