metabolite_name 1 2 3 4 5 6 7 8 9 Cer(d18:0+pO/34:1) 0.000 0.000 1000.000 337.000 41.300 285.000 6740.000 25800.000 0.000 LPC(16:0) 73600000.000 41400000.000 67600000.000 69400000.000 75500000.000 54100000.000 50700000.000 75100000.000 75000000.000 LPC(18:1) 12300000.000 5870000.000 10700000.000 11400000.000 14900000.000 8690000.000 8670000.000 13400000.000 10100000.000 LPC(18:2) 10200000.000 16500000.000 16800000.000 30500000.000 16400000.000 19600000.000 31700000.000 25400000.000 0.000 PC(16:0/16:0) 1840000.000 3610000.000 2540000.000 2510000.000 2780000.000 3260000.000 2310000.000 3010000.000 2540000.000 PC(16:0/16:1) 1030000.000 4420000.000 1410000.000 1620000.000 1700000.000 1930000.000 1730000.000 1560000.000 1920000.000 PC(16:0/18:1) 33600000.000 57000000.000 43600000.000 45600000.000 39800000.000 47000000.000 36000000.000 39500000.000 37400000.000 PC(16:0/18:2) 67100000.000 89300000.000 87000000.000 93300000.000 73200000.000 103000000.000 73400000.000 88700000.000 76800000.000 PC(16:0/20:3) 11100000.000 8240000.000 10200000.000 13600000.000 10400000.000 12900000.000 10500000.000 15000000.000 7810000.000 PC(16:0/20:4) 16200000.000 52900000.000 41500000.000 41800000.000 15600000.000 35900000.000 28300000.000 26200000.000 33500000.000 PC(16:0/22:5) 1430000.000 4060000.000 4420000.000 4540000.000 1980000.000 4470000.000 2350000.000 3970000.000 4830000.000 PC(16:0/22:6) 6210000.000 11300000.000 16000000.000 16000000.000 4870000.000 17200000.000 15000000.000 7890000.000 9530000.000 PC(16:0e/20:4) 2140000.000 3760000.000 3320000.000 3460000.000 2440000.000 2540000.000 2240000.000 3040000.000 2850000.000 PC(16:0p/20:4) 1730000.000 2020000.000 3540000.000 3970000.000 2030000.000 2040000.000 1880000.000 2270000.000 2240000.000 PC(18:0/18:1) 9550000.000 11200000.000 11500000.000 12300000.000 11900000.000 12300000.000 10600000.000 10100000.000 11100000.000 PC(18:0/18:2) 11500000.000 11200000.000 8040000.000 7840000.000 6080000.000 8600000.000 6060000.000 7980000.000 4350000.000 PC(18:0/20:3) 7340000.000 11100000.000 11300000.000 12500000.000 8710000.000 7150000.000 8100000.000 12600000.000 11800000.000 PC(18:0/20:4) 15300000.000 29800000.000 39200000.000 43200000.000 13900000.000 33000000.000 24700000.000 27100000.000 30500000.000 PC(18:0/22:6) 3560000.000 4820000.000 8010000.000 8240000.000 2560000.000 7570000.000 6620000.000 3700000.000 4630000.000 PC(18:0p/20:4) 2340000.000 3530000.000 3430000.000 4370000.000 2610000.000 2860000.000 2250000.000 2970000.000 2930000.000 PC(18:1/20:4) 3890000.000 5390000.000 9690000.000 9950000.000 3860000.000 7750000.000 4850000.000 7360000.000 7210000.000 PC(18:2/18:2) 5490000.000 2240000.000 4040000.000 5140000.000 5140000.000 6370000.000 3750000.000 7230000.000 3830000.000 PC(32:0) 27800000.000 74700000.000 55300000.000 44600000.000 46400000.000 61200000.000 41400000.000 53500000.000 51600000.000 PC(32:1) 12000000.000 78500000.000 24900000.000 24000000.000 25400000.000 31500000.000 26700000.000 29900000.000 29900000.000 PC(34:1) 471000000.000 1170000000.000 816000000.000 800000000.000 689000000.000 841000000.000 640000000.000 716000000.000 653000000.000 PC(34:2) 1190000000.000 2130000000.000 1880000000.000 1930000000.000 1330000000.000 2310000000.000 1560000000.000 2070000000.000 1550000000.000 PC(36:1) 105000000.000 146000000.000 163000000.000 155000000.000 154000000.000 141000000.000 130000000.000 130000000.000 124000000.000 PC(36:2) 119000000.000 662000000.000 829000000.000 985000000.000 832000000.000 1150000000.000 846000000.000 1050000000.000 744000000.000 PC(36:3) 979000000.000 1440000000.000 1280000000.000 1190000000.000 1100000000.000 1180000000.000 1100000000.000 1340000000.000 1490000000.000 PC(36:4) 353000000.000 1230000000.000 941000000.000 885000000.000 357000000.000 769000000.000 621000000.000 645000000.000 803000000.000 PC(38:3) 556000000.000 679000000.000 687000000.000 668000000.000 673000000.000 618000000.000 982000000.000 687000000.000 767000000.000 PC(38:4) 177000000.000 440000000.000 637000000.000 616000000.000 201000000.000 476000000.000 366000000.000 404000000.000 433000000.000 PC(38:5) 50900000.000 107000000.000 168000000.000 157000000.000 67000000.000 125000000.000 109000000.000 122000000.000 138000000.000 PC(38:6) 104000000.000 280000000.000 330000000.000 313000000.000 88100000.000 330000000.000 289000000.000 151000000.000 205000000.000 PC(40:6) 19500000.000 61500000.000 109000000.000 96400000.000 28400000.000 97000000.000 93700000.000 42100000.000 55600000.000 PE(16:0p/20:4) 2270000.000 3370000.000 3290000.000 3340000.000 2050000.000 3120000.000 3800000.000 3110000.000 3640000.000 PE(18:0/18:2) 1280000.000 3380000.000 1710000.000 1370000.000 751000.000 2480000.000 989000.000 608000.000 1700000.000 PE(18:0/20:4) 3330000.000 10100000.000 6390000.000 4540000.000 2950000.000 9680000.000 4340000.000 3210000.000 6200000.000 PE(18:0p/20:4) 5350000.000 9820000.000 8050000.000 7430000.000 4800000.000 7260000.000 7430000.000 7000000.000 7190000.000 PE(38:5p) 1890000.000 3360000.000 2990000.000 3620000.000 1970000.000 2600000.000 2740000.000 2690000.000 3140000.000 PI(18:0/20:4) 7810000.000 8070000.000 12300000.000 13300000.000 9230000.000 16900000.000 9500000.000 11700000.000 9670000.000 PS(18:0/20:4) 822000.000 1130000.000 1910000.000 765000.000 1540000.000 2940000.000 2160000.000 1810000.000 2330000.000 PS(37:1) 66800000.000 89100000.000 86700000.000 93000000.000 72700000.000 103000000.000 73200000.000 88400000.000 74600000.000 PS(39:1) 5750000.000 11100000.000 8040000.000 7840000.000 5960000.000 8540000.000 5940000.000 7980000.000 17800000.000 PS(39:2) 11100000.000 9120000.000 11400000.000 13400000.000 10600000.000 12800000.000 10500000.000 15000000.000 8810000.000 PS(39:3) 20200000.000 50400000.000 44500000.000 46300000.000 20800000.000 40000000.000 31300000.000 33300000.000 37200000.000 SM(d15:0/21:1) 2730000.000 3200000.000 4240000.000 4690000.000 2870000.000 4500000.000 3860000.000 4130000.000 4210000.000 SM(d22:0/18:1) 4880000.000 11000000.000 13300000.000 13500000.000 6610000.000 13800000.000 8690000.000 9270000.000 8980000.000 SM(d22:0/20:3) 4380000.000 5500000.000 9370000.000 10200000.000 4670000.000 9800000.000 6090000.000 5790000.000 7160000.000 SM(d22:1/18:1) 2220000.000 4100000.000 5390000.000 5530000.000 3360000.000 7070000.000 3470000.000 4600000.000 4500000.000 SM(d34:1) 168000000.000 310000000.000 369000000.000 371000000.000 213000000.000 382000000.000 270000000.000 349000000.000 290000000.000 SM(d40:1) 52600000.000 160000000.000 166000000.000 180000000.000 82200000.000 175000000.000 119000000.000 131000000.000 116000000.000 SM(d41:1) 1490000.000 3620000.000 3900000.000 5040000.000 2290000.000 4300000.000 2840000.000 4950000.000 3740000.000 SM(d42:1) 2490000.000 7560000.000 9820000.000 11200000.000 4610000.000 9180000.000 6300000.000 6780000.000 5210000.000 SM(d42:2) 77900000.000 174000000.000 197000000.000 196000000.000 101000000.000 168000000.000 151000000.000 142000000.000 164000000.000 SM(d42:3) 54100000.000 83300000.000 118000000.000 117000000.000 55200000.000 125000000.000 83000000.000 91600000.000 93800000.000 dMePE(16:0p/20:4) 5380000.000 9410000.000 8100000.000 7440000.000 3830000.000 7310000.000 8170000.000 7230000.000 5230000.000 metabolite_name Class FA FA Group Key Calc Mass Formula retention time MainIon Cer(d18:0+pO/34:1) Cer d18:0+pO/34:1 d52:1+pO 805.7887 C52 H103 O4 N1 33.06 -H LPC(16:0) LPC 16:00 16:00 495.3325 C24 H50 O7 N1 P1 4.145 +H LPC(18:1) LPC 18:01 18:01 521.3481 C26 H52 O7 N1 P1 4.893 +H LPC(18:2) LPC 18:02 18:02 519.3325 C26 H50 O7 N1 P1 4.404 +H PC(16:0/16:0) PC 16:0/16:0 32:00:00 733.5622 C40 H80 O8 N1 P1 32.715 +HCOO PC(16:0/16:1) PC 16:0/16:1 32:01:00 731.5465 C40 H78 O8 N1 P1 31.938 +HCOO PC(16:0/18:1) PC 16:0/18:1 34:01:00 759.5778 C42 H82 O8 N1 P1 33.012 +HCOO PC(16:0/18:2) PC 16:0/18:2 34:02:00 757.5622 C42 H80 O8 N1 P1 32.387 +HCOO PC(16:0/20:3) PC 16:0/20:3 36:03:00 783.5778 C44 H82 O8 N1 P1 32.652 +HCOO PC(16:0/20:4) PC 16:0/20:4 36:04:00 781.5622 C44 H80 O8 N1 P1 32.518 +HCOO PC(16:0/22:5) PC 16:0/22:5 38:05:00 807.5778 C46 H82 O8 N1 P1 33.15 +HCOO PC(16:0/22:6) PC 16:0/22:6 38:06:00 805.5622 C46 H80 O8 N1 P1 32.598 +HCOO PC(16:0e/20:4) PC 16:0e/20:4 36:4e 767.5829 C44 H82 O7 N1 P1 32.981 +HCOO PC(16:0p/20:4) PC 16:0p/20:4 36:4p 765.5672 C44 H80 O7 N1 P1 32.545 +HCOO PC(18:0/18:1) PC 18:0/18:1 36:01:00 787.6091 C44 H86 O8 N1 P1 34.106 +HCOO PC(18:0/18:2) PC 18:0/18:2 36:02:00 785.5935 C44 H84 O8 N1 P1 33.32 +HCOO PC(18:0/20:3) PC 18:0/20:3 38:03:00 811.6091 C46 H86 O8 N1 P1 33.934 +HCOO PC(18:0/20:4) PC 18:0/20:4 38:04:00 809.5935 C46 H84 O8 N1 P1 33.607 +HCOO PC(18:0/22:6) PC 18:0/22:6 40:06:00 833.5935 C48 H84 O8 N1 P1 33.655 +HCOO PC(18:0p/20:4) PC 18:0p/20:4 38:4p 793.5985 C46 H84 O7 N1 P1 33.148 +HCOO PC(18:1/20:4) PC 18:1/20:4 38:05:00 807.5778 C46 H82 O8 N1 P1 32.809 +HCOO PC(18:2/18:2) PC 18:2/18:2 36:04:00 781.5622 C44 H80 O8 N1 P1 32.047 +HCOO PC(32:0) PC 32:00:00 32:00:00 733.5622 C40 H80 O8 N1 P1 12.287 +H PC(32:1) PC 32:01:00 32:01:00 731.5465 C40 H78 O8 N1 P1 11.479 +H PC(34:1) PC 34:01:00 34:01:00 759.5778 C42 H82 O8 N1 P1 12.576 +H PC(34:2) PC 34:02:00 34:02:00 757.5622 C42 H80 O8 N1 P1 11.939 +H PC(36:1) PC 36:01:00 36:01:00 787.6091 C44 H86 O8 N1 P1 13.686 +H PC(36:2) PC 36:02:00 36:02:00 785.5935 C44 H84 O8 N1 P1 13.079 +H PC(36:3) PC 36:03:00 36:03:00 783.5778 C44 H82 O8 N1 P1 12.206 +H PC(36:4) PC 36:04:00 36:04:00 781.5622 C44 H80 O8 N1 P1 11.582 +H PC(38:3) PC 38:03:00 38:03:00 811.6091 C46 H86 O8 N1 P1 13.115 +H PC(38:4) PC 38:04:00 38:04:00 809.5935 C46 H84 O8 N1 P1 13.186 +H PC(38:5) PC 38:05:00 38:05:00 807.5778 C46 H82 O8 N1 P1 12.351 +H PC(38:6) PC 38:06:00 38:06:00 805.5622 C46 H80 O8 N1 P1 12.148 +H PC(40:6) PC 40:06:00 40:06:00 833.5935 C48 H84 O8 N1 P1 13.271 +H PE(16:0p/20:4) PE 16:0p/20:4 36:4p 723.5203 C41 H74 O7 N1 P1 32.578 -H PE(18:0/18:2) PE 18:0/18:2 36:02:00 743.5465 C41 H78 O8 N1 P1 33.561 -H PE(18:0/20:4) PE 18:0/20:4 38:04:00 767.5465 C43 H78 O8 N1 P1 33.645 -H PE(18:0p/20:4) PE 18:0p/20:4 38:4p 751.5516 C43 H78 O7 N1 P1 33.682 -H PE(38:5p) PE 38:5p 38:5p 749.5359 C43 H76 O7 N1 P1 32.872 -H PI(18:0/20:4) PI 18:0/20:4 38:04:00 886.5571 C47 H83 O13 N0 P1 33.661 -H PS(18:0/20:4) PS 18:0/20:4 38:04:00 811.5363 C44 H78 O10 N1 P1 33.876 -H PS(37:1) PS 37:01:00 37:01:00 803.5676 C43 H82 O10 N1 P1 32.363 -H PS(39:1) PS 39:01:00 39:01:00 831.5989 C45 H86 O10 N1 P1 33.277 -H PS(39:2) PS 39:02:00 39:02:00 829.5833 C45 H84 O10 N1 P1 32.66 -H PS(39:3) PS 39:03:00 39:03:00 827.5676 C45 H82 O10 N1 P1 32.044 -H SM(d15:0/21:1) SM d15:0/21:1 d36:1 730.5989 C41 H83 O6 N2 P1 31.458 +HCOO SM(d22:0/18:1) SM d22:0/18:1 d40:1 786.6615 C45 H91 O6 N2 P1 33.834 +HCOO SM(d22:0/20:3) SM d22:0/20:3 d42:3 810.6615 C47 H91 O6 N2 P1 33.177 +HCOO SM(d22:1/18:1) SM d22:1/18:1 d40:2 784.6458 C45 H89 O6 N2 P1 33.129 +HCOO SM(d34:1) SM d34:1 d34:1 702.5676 C39 H79 O6 N2 P1 9.727 +H SM(d40:1) SM d40:1 d40:1 786.6615 C45 H91 O6 N2 P1 13.416 +H SM(d41:1) SM d41:1 d41:1 800.6771 C46 H93 O6 N2 P1 34.426 +HCOO SM(d42:1) SM d42:1 d42:1 814.6928 C47 H95 O6 N2 P1 34.937 +HCOO SM(d42:2) SM d42:2 d42:2 812.6771 C47 H93 O6 N2 P1 13.451 +H SM(d42:3) SM d42:3 d42:3 810.6615 C47 H91 O6 N2 P1 12.751 +H dMePE(16:0p/20:4) dMePE 16:0p/20:4 36:4p 751.5516 C43 H78 O7 N1 P1 33.631 -H