Data for (Study ST002398)

(Analysis AN003905)

Values for each metabolite have been scaled by dividing by the mean across all factors

Run Hierarchial cluster analysis on this study | Run Heatmap cluster analysis on this study

MetaboliteF1F2F3F4F5F6F7F8F9F10
AcCa(14:1)+H 0.9520 0.1950 1.5406 0.2408 0.9419 1.3506 1.3327 1.4389 0.8301 1.1773
AcCa(15:0)+H 1.0777 0.1527 1.2955 0.2956 0.8009 1.4074 1.2425 1.2779 0.8657 1.5841
AcCa(16:0)+H 0.7916 0.1586 1.3028 0.2779 1.1887 1.2962 1.3893 1.1638 0.9895 1.4417
AcCa(16:1)+H 0.8365 0.1056 1.4997 0.2521 0.8440 1.5637 1.3716 1.5260 0.9835 1.0174
AcCa(17:0)+H 0.9721 0.0357 1.2364 0.2901 0.7330 1.3308 1.4252 0.9564 0.9470 2.0733
AcCa(18:0)+H 0.7313 0.2479 1.2548 0.2576 1.2535 1.6066 1.2188 1.1551 0.9654 1.3089
AcCa(18:1)+H 0.8306 0.1185 1.6007 0.2016 1.0420 1.0193 1.3969 1.4422 0.9363 1.4120
AcCa(18:2)+H 0.8452 0.2364 1.2542 0.2500 1.1931 1.5899 1.1143 1.3113 0.9104 1.2950
AcCa(18:3)+H 0.8168 0.0918 1.4623 0.2068 1.1698 1.8070 0.9902 1.6921 0.7928 0.9703
AcCa(18:4)+H 0.5508 0.0758 2.7105 0.1015 1.0630 1.7394 0.5846 2.0824 0.5122 0.5798
AcCa(20:0)+H 0.7624 0.1830 1.6645 0.3062 0.9212 2.2554 1.1499 1.1055 0.7624 0.8895
AcCa(20:1)+H 0.6111 0.1216 1.4237 0.3549 0.8451 1.8267 1.6317 1.1766 1.0141 0.9946
AcCa(20:3)+H 0.8548 0.0941 0.9656 0.3871 0.5939 1.1591 2.0388 1.0090 1.4799 1.4178
AcCa(20:4)+H 1.1071 0.0261 0.8927 0.3168 0.3235 1.6584 1.3959 1.6715 0.9408 1.6672
AcCa(20:5)+H 1.0595 0.1618 1.0725 0.2851 1.2017 1.1844 1.2361 1.3093 0.8786 1.6108
AcCa(22:0)+H 0.7824 0.1916 2.0438 0.4596 0.9750 1.5263 1.2193 1.0614 0.8763 0.8642
AcCa(22:1)+H 0.4358 0.0463 2.0988 0.5049 0.7605 1.4805 1.2461 1.3217 1.3292 0.7762
AcCa(22:6)+H 0.7220 0.2736 0.8650 0.4625 0.8388 1.0625 1.4439 1.1783 1.7368 1.4167
AcCa(23:0)+H 0.6061 0.2195 4.1281 0.4158 0.8650 0.9896 1.0879 0.5640 0.5708 0.5531
AcCa(24:1)+H 0.7393 0.1216 2.5819 0.5020 0.5957 1.2891 1.6101 1.0525 0.8570 0.6508
Cer(d15:1_24:1)-H 0.1817 NA 1.6561 0.1361 0.6334 2.9695 0.0340 2.2756 0.1136 NA
Cer(d16:0_22:0)+H 0.4702 0.1225 2.2870 0.1695 1.1563 2.2228 0.2608 2.6503 0.1648 0.4959
Cer(d16:0_22:0)-H 0.3408 0.0353 2.4496 0.2994 0.6923 2.8373 0.3176 2.4805 0.3389 0.2082
Cer(d16:1_22:0)-H 0.6565 0.0506 1.7578 0.4829 0.9318 2.3931 0.7073 1.9696 0.5337 0.5167
Cer(d16:1_22:0)+H-H2O 0.8742 0.0798 1.7166 0.3007 1.2048 2.1521 0.5976 1.9392 0.3370 0.7979
Cer(d16:1_22:0+O)-H 1.1080 0.0565 0.8952 0.6241 0.8580 1.7605 1.0145 1.9599 1.5272 0.1961
Cer(d16:1_24:1)+H 1.0766 0.1147 0.8961 0.6159 0.8066 1.5019 1.5305 1.2065 0.8809 1.3702
Cer(d16:1_24:1)-H 0.9247 0.0370 0.9926 0.7915 0.6153 1.3744 1.7052 1.4592 1.2302 0.8698
Cer(d16:1_24:1)+H-H2O 1.2330 0.0973 0.8864 0.5452 1.0864 1.2530 1.4863 1.3196 0.6798 1.4130
Cer(d16:1_25:0)+CH3COO 1.1087 0.0678 0.8752 0.8142 0.6354 1.2518 1.8135 1.1845 1.2371 1.0119
Cer(d16:2_21:1)-H 0.9682 0.1322 1.2003 0.7029 0.8621 1.8171 1.4192 1.2335 0.7494 0.9152
Cer(d16:2_21:1)+HCOO 1.0468 0.1297 1.2174 0.7168 0.9216 1.7522 1.3255 1.1776 0.7737 0.9387
Cer(d17:0_20:0)+CH3COO 1.2402 0.1281 0.2464 0.4982 0.3700 0.7185 3.5314 0.6090 1.6398 1.0184
Cer(d17:0_22:0)+H 0.2160 0.0200 2.3993 0.0631 0.8806 3.1269 0.0842 3.0075 0.1007 0.1017
Cer(d17:0_22:0)-H 0.1757 NA 2.4418 0.0365 0.8056 3.0824 0.0585 2.1007 0.0836 0.2152
Cer(d17:1_22:0)+H 0.6234 0.0416 1.9123 0.1350 1.5135 2.6449 0.2061 2.1831 0.1018 0.6381
Cer(d17:1_22:0)-H 0.4327 0.0166 1.9879 0.2501 0.6470 2.8083 0.2886 3.0529 0.3731 0.1427
Cer(d17:1_22:0)-H_1 0.2363 NA 2.2020 0.1240 0.5878 3.1330 0.0223 2.5714 0.0901 0.0331
Cer(d17:1_22:0)+HCOO 0.3590 0.0083 1.8968 0.3222 0.5952 3.4340 0.2310 2.5949 0.3906 0.1680
Cer(d17:1_22:0)+H-H2O 0.4260 0.0167 2.0867 0.1822 1.0520 2.7880 0.2196 2.7650 0.2012 0.2627
Cer(d17:1_24:1)-H 0.6788 NA 1.3753 1.6306 0.1695 0.8943 1.3801 1.1018 1.2404 0.5292
Cer(d17:1_26:0)+HCOO 0.9937 0.1924 1.4074 0.7183 0.7766 1.0476 1.5628 1.6191 0.8512 0.8309
Cer(d18:0_16:0)-H 1.1468 0.1032 1.3529 0.5645 0.8180 1.6844 1.2812 1.1737 0.7643 1.1110
Cer(d18:0_21:0)+CH3COO 1.1850 0.0910 0.2613 0.9734 0.1039 0.7830 2.6187 0.7142 2.1161 1.1533
Cer(d18:0_22:0)+H 1.6705 0.1803 1.0089 0.2944 0.9246 1.5068 1.0767 1.2818 0.5111 1.5448
Cer(d18:0_22:0)-H 1.3414 0.1171 1.1490 0.5172 0.9024 1.5083 1.3066 1.0334 0.9503 1.1744
Cer(d18:0_22:0+O)+H 1.2876 0.1844 0.8120 0.5092 0.7343 1.4267 1.4731 1.3572 0.6496 1.5659
Cer(d18:0_23:1)+CH3COO 0.3623 0.2842 0.2564 0.5269 1.1721 0.3607 5.2315 0.4039 0.7594 0.6426
Cer(d18:0_24:0)+H 1.2475 0.4545 1.0909 0.2677 1.4369 1.3333 0.9798 0.7475 0.5404 1.9015
Cer(d18:0_24:0)-H 1.4471 0.1377 1.1918 0.5724 1.0625 1.5415 1.3919 0.9454 0.8513 0.8583
Cer(d18:0_24:1)+H 1.4969 0.1426 1.0830 0.5116 0.7255 1.4088 1.3472 1.1271 0.6956 1.4617
Cer(d18:0_24:1)-H 1.0360 NA 1.0064 0.4795 0.4522 1.6525 1.3103 1.0960 0.9523 1.0147
Cer(d18:1_16:0)-H 1.2206 0.1233 0.8158 0.5912 0.9502 1.3658 1.4773 1.2481 0.6340 1.5736
Cer(d18:1_16:0)+H-H2O 1.2380 0.4290 0.7150 0.2921 1.7038 1.2012 1.1767 1.0255 0.3269 1.8917
Cer(d18:1_18:0)-H 1.2817 0.1104 0.9218 0.4488 0.9542 1.5041 1.2979 1.1604 0.6631 1.6577
Cer(d18:1_18:0)+HCOO 1.3032 0.1187 0.8342 0.4296 0.9523 1.4679 1.3211 1.1671 0.6838 1.7221
Cer(d18:1_18:0)+H-H2O 1.4727 0.2481 0.7363 0.2552 1.4530 1.2719 1.0592 0.9214 0.3457 2.2366
Cer(d18:1_21:0)-H 1.5946 0.0577 0.5595 0.8284 0.6604 0.6411 1.8244 0.7824 1.0514 2.0000
Cer(d18:1_22:0)+H 1.9043 0.1288 1.0651 0.4227 0.7323 1.5791 1.1008 1.3701 0.6951 1.0017
Cer(d18:1_22:0)-H 1.1880 0.0521 0.8245 0.8788 0.5754 1.3684 1.5172 1.4313 1.0105 1.1537
Cer(d18:1_22:0)+H_1 1.4072 0.0942 0.8771 0.5667 0.6179 1.3164 1.4599 1.5228 0.6780 1.4599
Cer(d18:1_22:0)+H_2 3.6024 0.0349 0.1287 0.0953 0.5157 0.2908 0.7223 0.3694 0.1262 4.1144
Cer(d18:1_22:0)+HCOO 1.2174 0.0638 0.8191 0.7944 0.5796 1.4032 1.5106 1.3606 1.0697 1.1816
Cer(d18:1_22:0)+H-H2O 1.0948 0.0982 1.0779 0.6292 0.6764 1.7206 1.2213 1.4423 0.8080 1.2314
Cer(d18:1_22:0+O)+H 1.2478 0.1502 0.9875 0.5265 0.9057 1.6657 1.0678 0.9578 0.6916 1.7995
Cer(d18:1_23:0)-H 1.4460 0.0445 0.6863 0.7696 0.6666 1.1127 1.6274 1.0147 1.1666 1.4656
Cer(d18:1_23:0+O)+H 1.3685 0.3932 0.8484 0.4290 0.8815 1.0429 1.0429 1.1146 0.8236 2.0555
Cer(d18:1_23:1)-H 1.3004 NA 0.2710 0.3879 0.3166 1.5045 1.7879 1.7879 0.6123 1.0316
Cer(d18:1_23:1)+H-H2O 1.0166 0.0319 0.6933 0.6465 0.4204 1.2494 1.4939 1.4336 0.6699 2.3446
Cer(d18:1_24:0)+H 1.3326 0.1402 0.8677 0.5346 0.8480 1.2236 1.5295 1.3023 0.6618 1.5598
Cer(d18:1_24:0)-H 1.1264 0.0666 0.9513 0.8025 0.6332 1.3511 1.7918 1.2227 1.1731 0.8813
Cer(d18:1_24:1)+H 1.0855 0.0664 1.0277 0.5722 0.5104 1.5358 1.3972 1.7321 0.8776 1.1952
Cer(d18:1_24:1)-H 1.1334 0.0482 0.9162 0.8767 0.4107 1.4533 1.4296 1.5224 1.2321 0.9774
Cer(d18:1_24:1)+H-H2O 1.1591 0.0564 0.9771 0.5661 0.4768 1.5737 1.4680 1.7616 0.8139 1.1474
Cer(d18:1_24:2)-H 1.1399 NA 0.7272 0.9239 0.3381 1.1027 1.5646 1.1846 0.9537 1.0654
Cer(d18:1_24:2)+HCOO 1.3104 0.0252 0.8218 1.1253 0.3502 1.2586 1.5251 1.3845 1.0587 1.1402
Cer(d18:1_24:3)-H 1.1095 NA 0.6004 0.7499 0.0773 1.2582 1.4090 1.6884 1.1367 0.9706
Cer(d18:1_26:0)-H 0.9561 0.1739 0.8712 0.7255 0.7727 1.5150 1.6654 1.3530 0.9850 0.9822
Cer(d18:1_26:1)-H 1.8131 0.0160 0.7114 0.7091 0.2924 1.3627 1.4205 1.2011 0.9147 1.5591
Cer(d18:1_26:1)+H-H2O 1.9926 0.0518 0.7704 0.4267 0.5230 1.2370 1.2593 1.1407 0.5244 2.0741
Cer(d18:1_26:2)-H 0.9798 NA 0.7739 1.0010 0.1311 1.0594 1.6445 1.4284 1.3364 0.6455
Cer(d18:2_26:0)+H 1.5805 0.6454 0.6629 0.2845 1.3259 0.6454 1.2513 1.1503 0.4079 2.0459
Cer(d18:2_26:0+O)+H 2.4626 0.9636 0.1472 0.1001 1.5178 0.5196 2.0154 0.6865 0.3149 1.2722
Cer(d19:0_24:0+O)+H 2.0899 0.0659 0.4070 0.3983 0.9082 0.6390 1.2692 0.3698 0.4059 3.4467
Cer(d19:1_16:0)-H 1.4283 0.0366 0.9581 0.6760 0.5402 1.3839 1.3573 1.1267 0.9758 1.5170
Cer(d19:1_21:0+O)+H 1.8099 0.0922 0.5678 0.4145 0.5619 1.4158 1.1764 0.8568 0.4481 2.6565
Cer(d19:1_22:0)+H 1.5753 0.2060 1.1527 0.3135 0.3453 1.6965 0.7695 1.4117 0.8785 1.6510
Cer(d19:1_22:0+O)+H 1.4362 0.1105 0.7988 0.5031 0.8583 1.3852 1.0793 1.2068 0.5906 2.0311
Cer(d19:1_23:0+O)+H 1.3497 0.1525 0.8948 0.5349 0.7198 1.5646 1.1647 1.4396 0.7948 1.3847
Cer(d19:1_24:0)+H 1.7358 0.0922 0.7791 0.5242 0.9567 0.8450 1.0770 0.8765 0.4898 2.6237
Cer(d19:1_24:0)-H 1.0641 0.0883 0.6659 1.1107 0.5341 1.3851 1.9178 0.7445 1.3718 1.1175
Cer(d19:1_24:0+O)+H 1.5252 0.1112 0.8552 0.6243 0.7049 1.2472 0.9336 1.1760 0.7412 2.0811
Cer(d19:1_24:0+O)+H_1 2.3007 0.0159 0.4636 0.4811 0.3382 0.5074 2.1549 0.7756 0.4578 2.5048
Cer(d19:1_24:1)-H 1.3877 NA 0.9899 1.0381 0.3184 0.6683 0.6938 0.7693 1.6267 1.5077
Cer(d22:0_16:0)+CH3COO 1.4763 0.0319 0.5586 0.4760 0.0842 0.7866 3.2834 0.5433 1.4881 1.2716
Cer(d34:0)+HCOO 1.0616 0.0814 1.2914 0.5253 0.8298 1.7509 1.3389 1.1884 0.7598 1.1725
Cer(d34:1)+HCOO 1.2899 0.1276 0.7817 0.5620 0.9745 1.4409 1.5096 1.2167 0.6397 1.4573
Cer(d37:1)+H-H2O 1.4697 0.0337 0.8485 0.3376 0.7653 0.9093 0.9993 1.1591 0.4164 3.0610
Cer(d38:0)+HCOO 0.3525 NA 2.0600 0.2196 0.7139 2.6106 0.2170 2.2027 0.3518 0.2718
Cer(d38:1)+HCOO 0.6579 0.0439 1.7603 0.4654 0.9449 2.3762 0.6544 2.0227 0.5599 0.5144
Cer(d39:1)+HCOO 0.2179 NA 1.6674 0.0862 0.6129 2.4755 NA 1.8719 0.0682 NA
Cer(d39:1)+HCOO_1 1.5189 0.0480 0.5339 0.8909 0.5223 0.9998 1.6436 0.8445 1.0485 1.9496
Cer(d39:1)+H-H2O 2.0223 0.0994 0.6976 0.5965 0.7231 1.0026 1.2490 1.0111 0.6696 1.9288
Cer(d39:1+O)-H 0.2700 0.0933 0.3885 0.8887 0.2770 0.4402 3.2741 0.7506 3.2566 0.3611
Cer(d40:1)+H-H2O 1.3805 0.0722 0.8633 0.6512 0.6437 1.4103 1.4233 1.4252 0.7293 1.4010
Cer(d40:2)+HCOO 0.9356 0.0329 0.9598 0.8630 0.6768 1.3792 1.7985 1.4598 1.1291 0.7654
Cer(d41:1)+H-H2O 1.6535 0.0848 0.8176 0.5827 0.6803 1.2081 1.5193 1.2234 0.8207 1.4095
Cer(d41:2)+HCOO 0.4927 NA 1.0907 0.8358 0.1793 1.9073 2.0114 1.0282 1.1548 0.2998
Cer(d41:2)+H-H2O 1.3145 0.0246 1.0231 0.8040 0.5424 1.2549 1.3230 1.6760 1.0507 0.9869
Cer(d42:1)+HCOO 1.1501 0.0709 0.8703 0.7815 0.6217 1.3699 1.6963 1.1590 1.2167 1.0635
Cer(d42:1)+H-H2O 1.3651 0.1001 0.9604 0.5940 0.8980 1.4416 1.4899 1.1940 0.7087 1.2483
Cer(d42:1)+H-H2O_1 0.9984 0.1186 1.1862 0.5140 0.7479 1.7792 1.5486 1.2411 0.9050 0.9610
Cer(d42:2)+HCOO 1.1467 0.0361 0.9101 0.7751 0.4156 1.5062 1.3894 1.5775 1.2529 0.9905
Cer(d42:3)+H-H2O 1.4845 0.0529 0.7933 0.6130 0.5655 1.2741 1.4965 1.3583 0.6551 1.7068
Cer(d42:4)+H-H2O 1.3475 0.0115 0.7084 0.5352 0.2979 1.4739 1.4757 1.8013 0.8383 1.5103
Cer(d43:2)+H-H2O 1.4421 0.0281 0.6693 1.0761 0.6634 0.9026 0.9959 0.9099 0.6882 2.6246
Cer(d44:1)+H-H2O 1.4478 0.3595 0.7249 0.3851 1.2858 1.0587 1.2878 1.2068 0.5372 1.7065
Cer(d44:2)+HCOO 1.7155 0.0106 0.7271 0.6766 0.4264 1.1843 1.4542 1.1494 0.9840 1.6719
CerG2GNAc1(d36:3)-H NA NA 2.9323 0.5275 NA 0.6359 NA 0.4521 0.4521 NA
Cer(m17:0_20:0)+CH3COO 1.4491 NA 0.8035 0.7045 0.6068 1.2606 1.0215 0.9036 0.8718 1.3784
Cer(m17:0_21:0)+CH3COO 2.5270 0.0175 0.2647 0.5226 0.3222 0.4562 1.1415 0.3017 0.5987 3.8479
Cer(m17:0_21:0)+HCOO 2.2491 0.0553 0.4378 0.4504 0.4308 0.2266 1.2762 0.4653 0.3164 4.0920
Cer(m17:0_22:0)+CH3COO 2.7698 0.0569 0.3532 0.5724 0.3816 0.8513 1.0927 0.6416 0.5108 2.7698
Cer(m17:0_23:0)+CH3COO 3.2702 0.0445 0.3342 0.5631 0.5188 0.4828 1.2462 0.4631 0.5004 2.5768
Cer(m17:0_24:0)+CH3COO 2.1963 0.0784 0.3571 0.6967 0.8405 0.6276 1.5563 0.4996 0.6240 2.5235
Cer(m17:0_24:1)+CH3COO 2.0051 0.0128 0.4375 0.7099 0.1278 0.6360 2.0051 0.8820 0.8142 2.3697
Cer(m17:1_24:0)+HCOO 1.1246 0.0996 0.5474 1.8180 0.1514 0.8091 2.4377 0.8430 1.9208 0.2486
Cer(m18:0_22:0)+HCOO 2.7698 0.0569 0.3532 0.5724 0.3816 0.8513 1.0927 0.6416 0.5108 2.7698
Cer(m18:1_22:0)+H 1.5310 0.1711 1.1111 0.4134 0.8883 1.5859 1.0465 1.2080 0.6072 1.4374
Cer(m32:0)+NH4 0.7806 2.2476 0.3449 0.0536 3.1998 0.6262 0.4392 0.4529 0.0709 1.7843
Cer(t16:0_24:1)-H 0.8329 0.3070 0.5274 1.0205 0.6757 0.9614 1.8319 0.9185 2.3114 0.6133
Cer(t18:0_16:0)-H 1.1554 0.3237 0.6939 0.4157 1.3667 1.2047 1.3350 1.1413 0.5883 1.7753
Cer(t18:0_17:0)-H 1.5811 0.1087 0.8062 0.6074 0.8695 1.2994 1.0410 1.2132 0.7984 1.6751
Cer(t18:0_21:0)+CH3COO 2.4805 NA 0.2196 0.3878 0.1576 0.2368 1.1829 0.2759 0.4767 3.5821
Cer(t18:0_21:0)+H 1.7755 0.2795 0.1730 0.1499 2.1854 1.3842 0.7480 0.6548 0.1075 2.5421
Cer(t18:0_21:0)-H 1.4248 NA 0.8113 0.7112 0.6064 1.2600 1.0492 0.8985 0.8608 1.3777
Cer(t18:0_22:0)+CH3COO 2.3267 0.1539 0.3162 0.7808 0.4183 0.7475 0.9740 0.8400 0.5508 2.8919
Cer(t18:0_22:0)+H 1.2699 0.1819 0.8008 0.5022 0.7242 1.4072 1.4529 1.3385 0.6407 1.6817
Cer(t18:0_22:0)-H 2.5270 0.0175 0.2647 0.5226 0.3222 0.4562 1.1415 0.3017 0.5987 3.8479
Cer(t18:0_22:0)+H_1 3.3852 0.0288 0.2589 0.1839 0.2838 0.6571 0.7915 0.4555 0.1966 3.7586
Cer(t18:0_22:0)+HCOO 2.4813 NA 0.2211 0.3689 0.1587 0.2384 1.1808 0.2778 0.4663 3.6067
Cer(t18:0_22:0)+H-H2O 1.4033 0.0939 0.8747 0.5666 0.6162 1.3127 1.4558 1.5186 0.7024 1.4558
Cer(t18:0_22:0+O)+H 0.9404 0.2627 0.5220 0.6794 0.6615 0.7019 2.8843 1.0979 1.3094 0.9404
Cer(t18:0_22:0+O)+H_1 1.7715 0.0728 0.6107 0.3870 0.6972 1.2899 1.0939 0.9797 0.5176 2.5798
Cer(t18:0_22:0+O)+H_2 1.0289 0.1320 0.8548 0.5573 0.9089 1.3719 1.1575 1.4319 0.7048 1.8520
Cer(t18:0_23:0)+H 1.3949 0.2126 0.5097 0.1804 1.1334 1.4084 0.7444 1.7303 0.2783 2.4076
Cer(t18:0_23:0)-H 1.5254 0.4100 0.5315 0.6419 0.8563 0.7499 1.7424 0.4903 1.0347 2.0175
Cer(t18:0_23:0)+H_1 1.8958 0.0664 0.5102 0.8179 0.3692 0.6561 0.9370 0.6233 0.9280 3.1961
Cer(t18:0_23:0)-H_1 2.5056 0.0540 0.3379 0.8854 0.3605 0.8071 1.0480 0.8974 0.4842 2.6200
Cer(t18:0_23:0)+HCOO 2.3267 0.1539 0.3162 0.7808 0.4183 0.7475 0.9740 0.8400 0.5508 2.8919
Cer(t18:0_23:0+O)+H 1.2401 0.3199 0.9627 0.3409 1.2100 1.4975 0.8089 1.3337 0.4145 1.8718
Cer(t18:0_23:0+O)+H_1 1.1420 0.0215 0.6252 0.9081 0.1492 1.0867 2.1904 1.2462 1.2632 1.3674
Cer(t18:0_23:0+O)+H_2 1.2259 0.2416 0.9486 0.6106 0.8510 1.3211 1.2616 1.2140 0.9331 1.3925
Cer(t18:0_24:0)+CH3COO 2.0419 0.0505 0.3842 0.8098 0.7015 0.4872 1.8169 0.4496 0.7493 2.5091
Cer(t18:0_24:0)+H 1.6547 0.1889 0.7752 0.4762 0.8013 0.9772 1.3811 0.8664 0.5857 2.2932
Cer(t18:0_24:0)-H 1.9249 0.3345 0.3979 1.1105 0.8554 0.7080 1.5917 0.6154 1.2678 1.1938
Cer(t18:0_24:0)+HCOO 2.1526 0.3182 0.5105 0.3381 0.6192 0.3861 0.9027 0.6160 0.7078 3.4487
Cer(t18:0_24:0+O)+H 0.9376 0.2123 0.9376 0.6175 0.8719 1.0993 1.5627 1.3040 1.2501 1.2070
Cer(t18:0_24:1)-H 1.2544 0.1090 0.6696 0.6987 0.4646 0.9803 1.9273 1.2046 1.0218 1.6698
Cer(t18:0_24:1)+HCOO 1.2476 0.1241 0.7613 0.6778 0.5619 1.1103 1.7486 1.1814 1.0118 1.5752
Cer(t18:0_25:0)-H 2.1963 0.0784 0.3571 0.6967 0.8405 0.6276 1.5563 0.4996 0.6240 2.5235
Cer(t18:0_25:0)+HCOO 2.0216 0.0594 0.3834 0.8086 0.7001 0.4839 1.7970 0.5131 0.7274 2.5054
Cer(t18:0_25:0+O)+HCOO 0.5476 NA 0.0557 0.9662 NA 0.1275 3.4009 0.1313 2.5354 0.2353
Cer(t18:0_25:1)-H 2.0051 0.0128 0.4375 0.7099 0.1278 0.6360 2.0051 0.8820 0.8142 2.3697
Cer(t18:0_25:1)+HCOO 1.7417 0.0000 0.3599 0.6431 NA 0.6549 2.0275 0.7293 0.7034 2.1403
Cer(t18:0_26:0)+H 1.7908 0.7290 0.5135 0.2536 1.3788 0.6498 0.9762 0.5230 0.2472 2.9382
Cer(t18:0_26:0)-H 0.9480 0.7080 0.5080 0.3167 1.2630 0.9357 1.5558 0.9072 0.7907 2.0670
Cer(t18:0_26:1)-H 0.9361 NA 0.1392 1.0145 0.1507 0.2941 2.1218 1.8345 1.2539 1.2552
Cer(t18:1_16:0)-H 1.0322 0.2503 0.5710 0.7923 0.7980 0.9578 2.0366 1.1252 1.2926 1.1438
Cer(t18:1_24:0)-H 1.1246 0.0996 0.5474 1.8180 0.1514 0.8091 2.4377 0.8430 1.9208 0.2486
Cer(t20:0_26:0)+H 0.2824 1.0383 NA NA 1.6010 NA NA NA NA 1.0782
Cer(t20:1_22:0)-H 0.7822 0.5237 0.5659 0.8988 1.1582 0.7244 1.4722 0.8580 1.7229 1.2938
Cer(t20:1_23:0+O)+H 1.1063 0.0859 0.9154 0.5385 0.4911 1.3804 1.4587 1.3804 0.7179 1.9254
Cer(t40:0)+HCOO 1.4116 0.1272 0.7252 0.6092 0.6564 0.9309 1.3675 1.2623 0.7429 2.1668
Cer(t40:0+O)-H 1.1529 0.3054 0.1439 0.6107 0.6203 0.3428 3.2773 0.4091 2.1691 0.9686
Cer(t41:0+O)-H 0.5885 0.4024 0.2093 0.5600 0.6957 0.4206 3.4381 0.3792 2.6583 0.6478
ChE(18:1D7)+NH4 1.3939 1.3306 0.6048 0.2402 1.1405 1.2960 1.3421 1.2211 0.2327 1.1981
ChE()+H-H2O 2.1227 0.2259 0.7457 0.2966 1.3008 1.1212 1.3498 0.8382 0.2520 1.7471
ChE()+H-H2O_1 1.5950 0.2027 1.7694 0.2944 1.0005 2.0095 0.7889 1.3263 0.2558 0.7575
CL(17:1_18:1_18:2_18:2)-H 0.8255 NA 0.5764 5.9074 NA 0.2579 0.0807 0.0924 0.1867 0.0729
CL(18:2_18:1_18:2_18:2)-H 3.7836 0.0238 0.0478 0.0484 0.0218 3.2431 0.1124 2.4380 0.2227 0.0585
CL(18:2_18:2_16:1_18:1)-H 0.0775 0.0463 2.2385 2.0253 0.0000 0.1037 2.6116 0.0138 2.8515 0.0317
CL(18:2_18:2_22:6_18:2)-H 0.0431 0.0186 0.0367 1.1103 2.7277 0.1131 0.1628 0.0488 0.7772 4.9619
CL(18:2_22:6_18:2_18:1)-H 0.0662 0.0513 0.3215 3.6249 0.0670 0.0160 0.1059 0.0096 5.6605 0.0771
CL(18:3_18:1_16:1_18:2)-H 0.1060 NA 2.2378 1.7050 NA 0.0468 0.5098 0.0901 2.3044 NA
CL(18:3_18:1_18:2_18:1)-H 0.0205 0.0113 2.1102 1.5319 0.0409 0.1058 3.6116 0.0160 2.4957 0.0561
CL(18:3_18:1_18:2_18:2)-H 0.0754 0.0008 3.5524 2.3148 0.0363 0.0385 0.3759 0.1547 3.3920 0.0593
CL(18:3_18:1_18:2_18:2)-H_1 2.6419 0.0067 0.1445 0.1960 0.0309 4.1888 0.1032 2.4445 0.1640 0.0795
CL(18:3_18:1_18:2_20:3)-H 0.0282 0.0143 0.3096 3.0816 0.0308 0.0205 4.0002 0.0199 2.3520 0.1429
CL(18:3_18:1_18:2_22:6)-H 0.0711 0.0376 1.3489 1.4555 0.0774 0.3968 3.9956 0.0373 2.5494 0.0305
CL(18:3_18:2_14:0_22:6)-H 0.0191 NA 3.9935 0.0310 0.0176 3.8606 0.9504 0.0426 0.0751 0.0101
CL(18:3_18:2_14:0_22:6)-H_1 0.0736 NA 5.2878 1.4949 0.0956 0.1100 0.1557 0.1052 1.6581 0.0191
CL(18:3_18:2_14:1_22:6)-H 0.0399 NA 0.8550 0.0143 0.1668 0.1936 0.4061 6.3052 0.0191 NA
CL(18:3_18:2_16:1_18:2)-H 0.0378 NA 0.5281 2.2929 NA 0.1650 0.5029 0.0550 3.4184 NA
CL(18:3_18:2_16:1_20:4)-H 0.5995 0.0054 2.7625 0.1564 0.0157 2.9006 1.6188 1.6050 0.3011 0.0350
CL(18:3_18:2_16:1_20:4)-H_1 0.0807 NA 3.7536 1.7604 0.0062 0.2995 0.3344 0.0891 2.6651 0.0109
CL(18:3_18:2_16:1_22:6)-H 0.1012 NA 5.3521 1.5998 NA 0.0941 0.1065 0.1356 0.2634 0.3474
CL(18:3_18:2_18:2_18:2)-H 0.0578 0.0167 0.3504 0.5888 0.0097 4.9006 0.6205 2.6372 0.7897 0.0286
CL(18:3_18:2_18:2_18:2)-H_1 0.0765 0.0021 3.3465 2.0874 0.0104 0.3346 0.7554 0.0505 3.2968 0.0398
CL(18:3_20:3_18:2_18:1)-H 5.3890 0.0076 0.0263 0.4924 0.0795 0.1068 0.0659 0.0550 0.6129 3.1647
CL(18:3_20:3_18:2_18:2)-H 0.1817 0.0035 0.1122 3.0851 NA 0.1421 0.6907 0.1124 4.6506 0.0217
CL(18:3_20:4_18:1_18:2)-H 6.8439 0.0301 0.0426 0.8223 0.3458 0.0562 0.0515 0.0531 1.6894 0.0650
CL(18:3_22:6_16:1_20:4)-H 0.0541 NA 0.0636 2.5306 NA 0.0777 0.2352 0.0389 3.9999 NA
CL(18:3_22:6_18:2_18:2)-H 0.0236 NA 2.5722 2.1684 0.0000 0.0318 0.6169 0.0225 3.5517 0.0130
CL(18:3_22:6_18:2_18:2)-H_1 0.0893 NA 2.0404 0.2171 NA 1.3880 3.6775 0.0840 0.4010 0.1027
CL(18:3_22:6_20:3_18:2)-H 0.1314 NA 0.7508 0.6000 NA 0.1439 0.8047 0.0220 5.5473 0.0000
CL(19:0_22:6_16:1_18:1)-2H 1.8400 0.0873 0.4653 0.5028 0.8730 0.7442 2.3909 0.6118 0.9142 1.5705
Co(Q10)+H 1.8717 0.1916 0.8407 0.2492 1.3653 1.3835 0.9075 0.9987 0.2330 1.9588
Co(Q10)+NH4 1.9211 0.2876 0.3808 0.1694 1.6597 1.4323 0.2228 1.0413 0.4411 2.4440
DG(15:0_18:1D7)+Na 1.1014 1.9464 0.2115 0.0304 3.2957 0.5267 0.3014 0.4225 0.0231 2.1408
DG(15:0_18:1D7)+NH4 1.4278 1.2150 0.3489 0.0675 2.8193 0.7788 0.5452 0.5711 0.0872 2.1391
DG(16:0_16:0)+Na 1.6348 0.6288 0.4927 0.2378 1.6120 0.9363 1.0015 0.9466 0.2687 2.2408
DG(16:0_18:1)+Na 1.6952 0.2362 0.6776 0.2726 1.2954 1.3266 1.0436 1.3370 0.3115 1.8043
DG(16:0_18:1)+NH4 1.3676 0.0939 0.9045 0.4977 0.7314 1.5926 1.3286 1.3719 0.7097 1.4022
DG(16:0_18:3)+H 1.3561 0.3759 1.2305 0.2536 1.7161 1.6742 0.7341 1.4566 0.3072 0.8957
DG(16:0_18:3)+Na 0.8382 2.1065 0.5770 0.0292 3.8645 0.8110 0.1959 0.6423 0.0482 0.8872
DG(16:0_18:3)+NH4 1.4041 0.3546 1.1740 0.2300 1.7293 1.6817 0.6735 1.3962 0.3173 1.0392
DG(18:0_18:1)+NH4 1.3220 0.2317 0.8128 0.4974 0.9660 1.3743 1.3351 1.2094 0.6675 1.5838
DG(18:0_18:3)+H 1.3975 0.1487 1.1285 0.3176 1.3826 1.7936 0.6053 1.6890 0.3864 1.1509
DG(18:0_18:3)+Na 1.6852 0.3589 0.7897 0.1326 2.2141 1.2692 0.5796 1.2974 0.1361 1.5372
DG(18:0_18:3)+NH4 1.6188 0.1471 1.0792 0.3141 1.2783 1.7344 0.7580 1.5738 0.3719 1.1242
DG(18:0_20:4)+H 1.3964 0.1400 0.8741 0.6741 0.8334 1.6001 1.1890 1.2594 0.7334 1.3001
DG(18:0_20:4)+NH4 1.3541 0.1456 0.8500 0.6919 0.7907 1.5749 1.2652 1.2487 0.7479 1.3310
DG(18:0_20:5)+NH4 1.3927 0.3454 0.7578 0.4042 1.6384 1.2507 1.0691 0.9066 0.5011 1.7340
DG(18:0_22:4)+H 1.5209 0.2202 0.8108 0.3445 1.4679 1.2533 1.2586 1.0784 0.5829 1.4626
DG(18:0_22:6)+H 1.2082 0.1679 0.9244 0.6682 1.0282 1.3363 1.4229 0.9174 0.8101 1.5164
DG(18:0_22:6)+NH4 1.1486 0.1636 0.8981 0.6841 1.0782 1.4048 1.4414 0.9515 0.8220 1.4076
DG(18:1_18:1)+Na 1.6075 0.5422 1.5819 0.2131 0.9185 1.2311 0.7782 1.0716 0.5314 1.5245
DG(18:1_18:1)+Na_1 1.6755 0.1070 0.7695 0.2417 1.4552 1.4614 0.8781 1.3404 0.2594 1.8120
DG(18:1_18:1)+NH4 1.3579 0.0534 1.0462 0.4897 0.8310 1.6176 1.3022 1.4655 0.5491 1.2874
DG(18:1_18:2)+NH4 1.3585 0.3016 1.0406 0.3045 1.3874 1.5030 0.9442 1.2911 0.4239 1.4452
DG(18:1_18:3)+H 1.3134 0.3783 1.3041 0.2338 1.5687 1.6486 0.7290 1.4948 0.2928 1.0365
DG(18:1_18:3)+Na 0.7623 2.2712 0.6305 0.0137 3.8637 0.8210 0.1462 0.6513 0.0269 0.8132
DG(18:1_18:3)+NH4 1.3641 0.3599 1.2442 0.2221 1.7069 1.7549 0.6478 1.4053 0.3044 0.9905
DG(18:1_20:4)+H 1.4832 0.1460 0.8053 0.3476 1.0684 1.5759 1.0545 1.2283 0.4368 1.8540
DG(18:1_20:4)+NH4 1.5959 0.1391 0.7979 0.3569 1.1861 1.5312 1.0492 1.1214 0.4324 1.7900
DG(18:1_22:4)+H 1.4722 0.1836 0.9913 0.1859 1.5309 1.5895 0.7977 1.5133 0.2810 1.4546
DG(18:3_18:3)+H 1.2298 0.3287 1.2596 0.2579 1.3639 1.5652 0.9540 1.3043 0.3428 1.3938
DG(18:3_18:3)+NH4 1.2347 0.3373 1.2576 0.2508 1.4002 1.6293 0.8096 1.3620 0.3437 1.3747
DG(18:4_18:3)+H 0.8635 0.1328 1.6959 0.2643 1.1673 1.9503 0.7264 1.7807 0.3053 1.1136
DG(18:4_18:3)+NH4 0.8544 0.1367 1.6272 0.2600 1.1628 1.9875 0.7151 1.7981 0.3028 1.1554
DG(30:2e)+Na 1.1875 0.0496 1.1829 0.4732 0.7701 1.5447 1.8834 1.3174 0.7329 0.8582
DG(30:2e)+Na_1 1.3671 0.0700 1.1306 0.3251 1.2064 1.6350 1.2507 1.4558 0.5007 1.0586
DG(30:2e)+Na_2 1.1771 0.0367 1.2801 0.5622 0.6123 1.6891 1.6337 1.4965 0.7337 0.7786
DG(31:1e)+Na 1.8035 0.1129 0.9953 0.5177 0.2745 1.3760 1.5229 1.1288 0.5985 1.6699
DG(31:2e)+Na 1.3850 0.0037 1.2824 0.4446 0.2757 1.9963 1.4919 1.6842 0.5557 0.8806
DG(31:2e)+Na_1 1.5042 0.0355 1.1716 0.4307 0.6784 1.6693 1.4774 1.4952 0.5222 1.0154
DG(31:2e)+Na_2 1.4382 0.0704 1.2472 0.3322 1.1467 1.8072 0.9965 1.4891 0.4009 1.0716
DG(31:2e)+Na_3 1.2700 0.0724 1.2132 0.4108 1.1210 1.6531 1.1777 1.3764 0.3930 1.3125
DG(32:1e)+Na 1.5576 0.1174 0.7486 0.4347 1.0159 1.2670 1.5111 0.9706 0.6103 1.7668
DG(32:1e)+Na_1 2.1722 0.0886 0.6355 0.2829 1.0002 1.0887 1.4377 0.9585 0.3459 1.9899
DG(32:2e)+Na 1.4429 0.0961 1.0690 0.3380 1.1337 1.5987 1.1912 1.5052 0.4530 1.1721
DG(32:2e)+Na_1 0.7957 0.0294 1.9959 0.3458 0.6600 2.3734 0.8906 2.0886 0.5131 0.3074
DG(32:2e)+Na_2 1.1808 0.0427 1.4302 0.4360 0.8180 1.9185 1.3465 1.6151 0.4953 0.7168
DG(32:2e)+Na_3 1.4752 0.0702 1.1119 0.4007 0.8334 1.5082 1.3651 1.4091 0.5163 1.3100
DG(32:2e)+Na_4 1.4399 0.1007 0.9699 0.2857 1.4623 1.4100 1.0668 1.3429 0.4596 1.4623
DG(32:2e)+Na_5 1.6435 0.0822 0.9220 0.3508 1.0723 1.5383 1.2677 1.3279 0.4675 1.3279
DG(32:3e)+Na 1.3810 0.1194 1.0335 0.2637 1.6304 1.5948 0.9890 1.4522 0.3956 1.1404
DG(32:3e)+Na_1 1.1088 0.0504 1.2143 0.5029 0.6766 1.9423 1.5822 1.7880 0.7332 0.4013
DG(32:3e)+Na_2 1.3006 0.0364 1.2457 0.4809 0.6036 1.7861 1.4564 1.6487 0.6311 0.8106
DG(32:4)+Na 0.5196 0.1021 2.5708 0.2153 0.8166 2.3651 0.2401 2.3107 0.3654 0.4943
DG(33:2e)+Na 1.4264 0.0596 1.1657 0.4804 0.7151 1.6611 1.4376 1.3818 0.5698 1.1024
DG(33:2e)+Na_1 1.6004 0.0455 1.1118 0.4029 0.6907 1.7127 1.3182 1.4600 0.5166 1.1413
DG(33:2e)+Na_2 1.4210 0.0581 1.2190 0.3738 0.7880 1.7510 1.2527 1.5625 0.5098 1.0641
DG(33:3e)+Na 1.6024 0.0569 1.1094 0.3324 0.8191 1.7217 1.3957 1.6899 0.5288 0.7436
DG(33:3e)+Na_1 0.6411 0.0322 2.1755 0.4799 0.6796 2.2911 0.9388 1.8602 0.5675 0.3342
DG(33:3e)+Na_2 1.5854 0.0433 0.9594 0.3652 0.7416 1.7555 1.4878 1.4153 0.5171 1.1295
DG(33:3e)+Na_3 1.4944 0.0704 1.0949 0.2841 1.0875 1.8495 1.1097 1.4944 0.4232 1.0919
DG(33:3e)+Na_4 1.9246 0.0962 0.8771 0.4292 0.9197 1.4817 1.2433 1.1411 0.3372 1.5499
DG(34:1e)+Na 1.1974 0.0446 1.1217 0.4200 1.2279 1.5321 1.1539 1.5176 0.6309 1.1539
DG(34:2e)+Na 1.8831 0.0945 0.5981 0.4052 1.4007 0.9608 1.3621 0.8335 0.4631 1.9988
DG(34:2e)+Na_1 1.4630 0.0944 1.0573 0.3851 0.9318 1.5352 1.3186 1.3478 0.5295 1.3375
DG(34:2e)+Na_2 1.5647 0.1115 1.1985 0.4078 0.9155 1.3483 1.3733 1.1319 0.5751 1.3733
DG(34:2e)+Na_3 1.4176 0.1983 0.7565 0.3837 1.5811 1.1722 1.2199 1.0700 0.5036 1.6970
DG(34:3e)+Na 1.7245 0.1182 0.7524 0.3262 1.1432 1.4694 1.2272 1.2594 0.4004 1.5792
DG(34:3e)+Na_1 1.4223 0.1343 0.9141 0.3421 1.5361 1.3047 1.1947 1.1947 0.4969 1.4602
DG(34:3e)+Na_2 1.4527 0.1272 1.0354 0.3333 1.2149 1.5524 1.1465 1.4057 0.4315 1.3003
DG(34:3e)+Na_3 1.2585 0.0545 1.3016 0.3862 0.8353 1.9308 1.2671 1.6464 0.4801 0.8396
DG(34:3e)+Na_4 1.2322 0.3772 1.3155 0.2173 1.6027 1.6776 0.7660 1.5569 0.2972 0.9575
DG(34:3e)+Na_5 1.4726 0.0872 1.0980 0.3882 0.9365 1.5113 1.2853 1.3692 0.5148 1.3370
DG(34:4e)+Na 1.6705 0.0473 1.0530 0.3652 0.6318 1.5556 1.3833 1.5365 0.6175 1.1392
DG(34:4e)+Na_1 1.5497 0.0710 1.0046 0.3840 0.9360 1.5497 1.3097 1.4057 0.5006 1.2891
DG(34:4e)+Na_2 1.6002 0.1289 0.8531 0.3320 1.4319 1.1944 1.1967 1.0976 0.4612 1.7040
DG(34:4e)+Na_3 1.6012 0.0774 0.5947 0.2809 0.9332 1.6286 1.7201 1.5097 0.6203 1.0339
DG(34:5e)+Na 1.4140 0.0368 1.1210 0.5228 0.5566 1.7182 1.6280 1.4816 0.6309 0.8901
DG(34:5e)+Na_1 1.6029 0.0796 0.9697 0.3432 0.9830 1.6428 1.2896 1.4329 0.4665 1.1896
DG(34:5e)+Na_2 1.6477 0.0442 1.0102 0.4981 0.5051 1.6442 1.5606 1.4526 0.6305 1.0067
DG(34:5e)+Na_3 1.5270 0.0949 1.0224 0.3393 1.1274 1.5180 1.2234 1.3863 0.4643 1.2970
DG(34:5e)+Na_4 1.0721 0.0312 1.5641 0.6265 0.4919 1.7953 1.2235 1.7448 0.8955 0.5550
DG(34:5e)+Na_5 0.3572 0.1715 2.1567 1.1342 0.2825 1.4006 0.3211 1.6841 2.0278 0.4643
DG(34:5e)+Na_6 1.0739 0.0402 1.2101 0.7823 0.5570 1.7985 1.1926 1.6763 1.1088 0.5605
DG(34:6e)+Na 0.8352 0.0276 1.6018 0.6077 0.4519 2.0443 1.2902 1.9259 0.7853 0.4301
DG(34:6e)+Na_1 1.2298 0.0269 1.3966 0.6026 0.4491 1.8684 1.4155 1.8305 0.7277 0.4529
DG(34:6e)+Na_2 1.2849 0.0519 1.3476 0.3991 0.7897 1.9326 1.2536 1.7132 0.4711 0.7563
DG(34:6e)+Na_3 0.9988 0.0269 1.3454 0.6436 0.4121 1.9878 1.3212 1.8303 0.8897 0.5442
DG(35:2e)+Na 0.7910 0.0213 1.3869 0.6780 0.2193 1.9211 1.9776 1.6694 0.8218 0.5137
DG(35:3e)+Na 1.4885 0.1247 1.0424 0.3565 0.8798 1.7845 1.3050 1.2050 0.5087 1.3050
DG(35:3e)+Na_1 1.5854 0.0033 1.0003 0.4932 0.6669 1.9503 1.5225 0.9865 0.5851 1.2066
DG(36:2e)+Na 3.9607 0.1016 0.2708 0.5196 0.9902 0.4841 0.5653 0.3876 0.9428 1.7773
DG(36:3e)+Na 1.3230 0.1763 0.8041 0.7328 1.4379 1.3112 1.1012 1.0933 0.4397 1.5805
DG(36:3e)+Na_1 1.6502 0.0736 0.9444 0.4756 0.7193 1.4098 1.3675 1.2372 0.5365 1.5859
DG(36:4e)+H 0.8590 0.1120 1.3785 0.1068 1.7316 2.1431 0.6789 1.5688 0.2366 1.1847
DG(36:4e)+H_1 1.5344 0.0970 0.9521 0.4079 0.8170 1.6131 1.3770 1.3246 0.5521 1.3246
DG(36:4e)+Na 1.7180 0.3586 0.6908 0.3566 1.2135 1.1163 1.0292 0.9745 0.4356 2.1070
DG(36:4e)+Na_1 3.1661 0.0119 0.8232 0.3399 1.0531 1.0665 1.1898 0.9098 0.7865 0.6532
DG(36:5e)+H 0.9388 0.2326 1.0572 0.1864 1.2086 1.5170 0.7984 1.8584 0.2863 1.9162
DG(36:5e)+H_1 1.5284 0.0994 1.0341 0.3796 0.9734 1.5284 1.3023 1.3209 0.5246 1.3091
DG(36:7e)+Na 1.8657 0.0510 1.0650 0.4904 0.6513 1.6282 1.1378 1.5860 0.5172 1.0075
DG(37:1e)+Na 1.8425 0.0367 0.6762 0.7822 0.2746 0.5458 1.8077 0.7509 1.4583 1.8251
DG(37:4)+H 2.0194 0.0503 0.5484 0.1623 1.0764 1.0801 0.8726 0.9726 0.2168 3.0012
DG(38:1e)+Na 1.2603 0.1408 0.8102 0.8675 0.4329 0.8151 2.9462 0.7472 1.1621 0.8176
DG(38:2e)+Na 1.6104 0.0853 1.1011 0.6132 0.0765 1.5517 1.7303 1.2904 0.8558 1.0851
DG(38:2e)+Na_1 1.3545 0.1744 1.2473 0.6607 0.0938 1.4227 1.8125 1.2278 0.8176 1.1888
DG(38:2e)+Na_2 1.9401 0.0679 1.0957 0.7580 0.1108 0.9349 1.7290 1.2365 0.8605 1.2666
DG(38:5e)+H 3.1668 0.0806 0.2102 0.4070 0.7829 0.4636 1.1481 1.3004 1.0255 1.4149
Hex1Cer(d14:0_22:6)+CH3COO 1.6977 0.1032 0.7183 0.4747 0.9011 1.2537 1.3843 0.8815 0.7183 1.8675
Hex1Cer(d15:0_20:4)+HCOO 2.0491 0.0986 0.8033 0.5988 0.5435 1.2554 1.0173 1.0967 0.5291 2.0082
Hex1Cer(d15:0_22:6)+HCOO 1.6487 0.1002 0.8561 0.5086 0.8751 1.3063 1.3697 0.8878 0.6975 1.7502
Hex1Cer(d15:1_22:5)+CH3COO 1.7015 0.3495 0.7955 0.1490 1.4623 0.8553 2.2901 1.2600 0.3495 0.7873
Hex1Cer(d16:0_20:5)+HCOO 1.5423 0.1758 0.7604 0.5237 1.0330 1.3415 1.2626 1.1047 0.6349 1.6212
Hex1Cer(d16:0_20:5)+HCOO_1 1.4163 0.2411 0.7583 0.5200 1.0924 1.2914 1.3190 1.1912 0.6595 1.5107
Hex1Cer(d16:0_22:5)+HCOO 1.3132 0.4521 0.6225 0.4431 1.9196 0.7463 1.9734 0.6459 0.6243 1.2594
Hex1Cer(d16:1_20:4)+HCOO 1.9359 0.1319 0.5381 0.3290 0.8009 1.7631 0.9507 1.5153 0.3814 1.6536
Hex1Cer(d16:2_20:4)+HCOO 1.5741 0.1208 0.7371 0.3885 0.8995 1.7990 0.8953 1.7949 0.4622 1.3284
Hex1Cer(d17:0_20:4)+HCOO 2.0768 0.0506 0.5157 0.4488 0.9889 0.8671 1.3484 0.8671 0.5236 2.3130
Hex1Cer(d18:1_22:0)+H 1.3433 0.3217 1.3183 0.5233 0.6783 1.6833 0.9750 1.2167 0.8700 1.0700
Hex1Cer(d18:1_24:0)+H 1.5743 0.5086 1.7106 0.3557 0.5374 1.3851 1.3412 0.9597 0.8144 0.8129
Hex1Cer(d18:1_24:0+O)+H 0.7431 0.0834 1.2982 0.7413 0.4565 1.4607 1.4936 1.6433 1.2471 0.8326
Hex1Cer(d18:1_24:1)+H 0.7286 0.0599 1.3960 0.5401 0.4815 2.0303 1.1056 1.8138 1.2355 0.6088
Hex1Cer(d19:1_22:1)+H 1.2053 0.0439 0.9211 0.8731 0.4320 1.1015 1.2572 1.3233 1.1819 1.6606
Hex1Cer(d19:1_24:1)+H 1.5138 0.0730 0.7058 0.6860 0.5343 0.6728 1.4214 0.7058 1.1081 2.5790
Hex1Cer(d22:1_18:1)+HCOO 0.8225 0.0897 0.9260 0.5665 0.5032 2.0000 1.4220 1.5029 1.2023 0.9649
Hex1Cer(d34:1)+H-H2O 1.0578 0.4350 0.8877 0.2597 1.8050 1.4351 0.8137 1.2650 0.3691 1.6718
Hex1Cer(d40:1)+HCOO 0.9939 0.1252 0.9116 0.5999 0.7763 1.8291 1.3821 1.2939 1.0410 1.0469
Hex1Cer(d40:1)+H-H2O 1.0058 0.1616 1.1074 0.5885 0.7169 1.8885 1.0914 1.4819 0.8827 1.0753
Hex1Cer(d41:1)+H-H2O 1.1875 0.1067 0.8273 0.7096 0.6441 1.5163 1.2858 1.3343 1.0056 1.3828
Hex1Cer(d42:1)+H-H2O 0.8463 0.1004 1.2090 0.5068 0.5952 2.0041 1.5205 1.3903 0.9114 0.9160
Hex1Cer(d42:1)+H-H2O_1 0.8296 0.1154 1.2116 0.7323 0.6423 1.6762 1.7176 1.1751 1.1118 0.7882
Hex1Cer(d42:2)+HCOO 0.8437 0.1143 1.1844 0.6027 0.5102 1.8866 1.3154 1.5669 1.1896 0.7861
Hex1Cer(d42:2)+H-H2O 0.9358 0.1767 1.1763 0.5280 0.6117 1.8246 1.1554 1.6207 0.9567 1.0142
Hex1Cer(d44:1)+H-H2O 0.3961 0.0329 1.2579 0.9233 0.2278 1.7557 2.3257 1.5924 1.2311 0.2571
Hex1Cer(d44:2)+H-H2O 0.9308 0.1006 1.0796 0.7457 0.4318 1.9233 1.3372 1.5132 1.0070 0.9308
Hex1Cer(m22:0_18:1)+CH3COO 0.8953 0.0982 1.0850 0.6498 0.5407 1.3765 1.5749 1.2053 1.4385 1.1359
Hex1Cer(m48:6)+H-H2O 1.2105 0.1720 1.0227 0.4627 0.7625 1.6631 0.8519 1.3916 0.6075 1.8554
Hex1Cer(t16:0_20:4)-H 1.8935 0.1297 0.8042 1.0323 0.7586 1.3517 0.9525 1.1122 0.5452 1.4201
Hex1Cer(t16:0_22:1)+H-H2O 0.7474 0.1593 1.0557 0.3720 1.6482 2.0666 0.7750 1.8772 0.4581 0.8404
Hex1Cer(t16:0_22:4)-H 1.5931 0.0688 0.6764 1.2950 1.0002 0.9371 0.8775 0.7574 1.1416 1.6528
Hex1Cer(t16:0_23:1)+H-H2O 1.0088 0.2136 0.6726 1.4105 1.1116 0.6290 1.4012 1.2891 1.1739 1.0898
Hex1Cer(t17:0_22:6)+CH3COO 2.3805 0.0584 0.0905 0.5122 0.2294 0.1803 3.4049 0.1818 0.3506 2.6114
Hex1Cer(t18:0_22:0)+H-H2O 1.3433 0.3217 1.3183 0.5233 0.6783 1.6833 0.9750 1.2167 0.8700 1.0700
Hex1Cer(t18:0_22:1)+H-H2O 1.2266 0.1084 0.9126 0.6624 0.7213 1.4033 1.3591 1.3591 0.9224 1.3248
Hex1Cer(t18:0_22:6)-H 1.4069 0.2332 0.5804 0.2985 1.0361 1.6306 2.0486 0.9595 0.5345 1.2716
Hex1Cer(t18:0_22:6)+HCOO 2.3241 0.0219 0.3817 0.7088 0.1035 0.2423 3.3532 0.1758 0.6304 2.0583
Hex1Cer(t18:0_24:0+O)+H 1.1046 0.1271 1.0068 0.9159 0.5816 1.4174 1.0264 1.3881 0.8289 1.6031
Hex1Cer(t18:0_24:1)+H-H2O 0.9659 0.0797 1.1528 0.6451 0.3984 1.5688 1.5406 1.4771 1.0682 1.1034
Hex1Cer(t18:0_24:1)+H-H2O_1 1.0013 0.1912 1.1988 0.7122 0.8956 1.1917 1.6642 0.9132 1.4103 0.8215
Hex1Cer(t18:0_24:2)+H-H2O 1.0577 0.0673 1.1624 0.5833 0.4555 1.4975 1.3718 1.7174 1.0189 1.0681
Hex1Cer(t40:0+O)+H 1.7655 0.0660 0.6520 0.4125 0.5576 1.3302 1.1310 0.9562 0.5244 2.6045
Hex1Cer(t41:0+O)+H 1.4404 0.1339 0.6965 0.4813 0.8812 1.4065 1.1100 1.2286 0.5457 2.0759
Hex1Cer(t43:0+O)+H 1.1166 0.1959 0.8952 0.6630 0.8308 1.6105 1.0804 1.1005 0.8428 1.6642
Hex2Cer(d16:2_22:6)-H 1.4464 0.1018 1.1963 0.5612 0.8128 1.4464 1.4464 1.1201 0.9538 0.9149
Hex2Cer(d18:2_20:5)-H 2.2091 0.0733 0.7333 0.5032 0.6873 1.5545 1.2375 1.2068 0.5574 1.2375
Hex2Cer(d18:2_22:6)-H 1.7760 0.1593 0.8073 0.4924 0.8665 1.2863 1.5284 1.0656 0.8503 1.1679
Hex2Cer(d19:2_18:4)-H 1.7068 0.0549 0.2526 0.6657 0.3868 1.8512 1.3786 1.7068 0.7602 1.2364
Hex2Cer(d19:2_20:4)-H 2.2704 0.2486 0.4664 0.5232 1.5300 1.0365 1.0488 1.1043 0.4393 1.3326
Hex2Cer(d19:2_20:5)-H 2.0294 0.1473 0.6251 0.5130 1.2782 1.2333 1.1633 1.2754 0.6055 1.1296
Hex2Cer(d19:2_22:5)-H 1.7827 0.6631 0.3759 0.3603 2.6702 0.4423 1.4992 0.4431 0.3983 1.3650
Hex2Cer(d19:2_22:6)-H 1.6631 0.3199 0.6794 0.5004 1.3756 1.2051 1.4235 0.9824 0.7104 1.1402
Hex2Cer(m17:0_22:5)-H 1.1914 0.4276 0.3121 0.4265 1.3471 1.1440 1.7329 0.8597 0.9477 1.6111
Hex2Cer(m17:0_22:6)-H 1.1544 0.3853 0.6973 0.6115 1.1076 1.3713 1.5460 0.8471 0.9158 1.3635
Hex2Cer(m17:1_20:5)-H 1.3135 0.2549 0.7766 0.5777 1.0484 1.4817 1.4121 0.9924 0.6559 1.4868
Hex2Cer(m19:0_22:6)-H 0.7406 0.3877 0.9318 0.8868 0.7518 1.5959 1.7011 0.8477 1.2137 0.9429
Hex2Cer(m21:0_22:6)-H 0.8449 0.2468 0.7372 1.0143 0.5686 1.2865 1.9173 0.7508 1.6823 0.9512
LPC(13:0)+Na 0.2075 0.0188 2.8375 0.1690 0.7253 2.7843 0.1516 2.6956 0.2394 0.1709
LPC(14:0)-CH3 0.0502 NA 3.3941 0.9638 0.0974 1.3897 0.3474 1.7483 0.8288 0.1803
LPC(14:0)+H 0.5383 0.0656 3.0399 0.7911 0.7009 2.0917 0.0449 1.7384 0.7837 0.2054
LPC(14:0)+HCOO 0.1555 NA 3.0707 0.8243 0.0806 2.0765 0.2024 1.6832 0.7677 0.1389
LPC(15:0)-CH3 0.1245 NA 0.3755 0.2125 0.0777 3.9979 0.1934 3.1276 0.2845 0.6063
LPC(15:0)-CH3_1 0.6641 NA 0.3559 0.1371 0.1485 0.3012 0.7356 0.6630 0.3619 5.6326
LPC(15:0)+H 2.4143 0.0168 1.2500 0.0197 1.7402 0.7267 2.3040 0.5833 0.1765 0.7684
LPC(15:0)+H_1 0.1084 0.0042 3.2943 1.0355 0.0178 2.4274 0.0392 1.6712 1.1752 0.2268
LPC(15:0)+H_2 0.6789 0.2480 0.2417 0.3021 0.2099 0.2734 0.6312 0.3498 0.4833 6.5819
LPC(15:0)+HCOO 0.1087 NA 3.7342 0.9455 0.1444 2.7776 0.0333 0.2665 0.8425 0.1473
LPC(16:0)-CH3 0.2632 0.0161 3.5171 0.1219 0.7196 2.4706 0.3959 1.9851 0.0206 0.4898
LPC(16:0)-CH3_1 1.6745 0.2549 0.3636 0.4254 0.5672 1.3290 2.7003 0.8523 0.7422 1.0907
LPC(16:0e)+H 0.2388 0.0676 1.3293 1.2999 0.7353 1.7646 1.1235 1.2470 1.1705 1.0235
LPC(16:0)+H 0.2216 0.0829 1.1997 0.1277 0.2399 2.7415 0.4052 4.0569 0.0718 0.8528
LPC(16:0)+H_1 1.3138 0.0690 0.6331 1.2120 0.1164 0.4358 1.7783 0.2392 1.4347 2.7676
LPC(16:0)+HCOO 1.3350 0.1213 0.1853 0.3227 0.4368 0.6312 2.0348 0.3707 1.7886 2.7736
LPC(16:0)+HCOO_1 0.1725 0.0088 3.0458 0.9324 0.5618 2.7350 0.1857 2.0824 0.0409 0.2347
LPC(16:0)+Na 0.0251 0.0086 0.5423 0.6461 0.3839 4.4000 0.1316 2.2967 1.3629 0.2028
LPC(16:0)+Na_1 0.6130 0.0569 1.0919 0.8237 0.0678 2.3818 0.7152 1.2228 0.9770 2.0498
LPC(16:1)-CH3 0.3840 NA 3.2746 0.4223 0.4922 1.6656 0.4610 1.3003 0.4958 0.5044
LPC(16:1)-CH3_1 0.6253 NA 1.0934 0.3785 0.4670 0.7358 3.7373 1.1083 0.3912 0.4631
LPC(16:1e)+H 1.2424 NA 0.0152 0.0198 NA 0.2404 4.3439 0.0083 0.2042 1.9258
LPC(16:1e)+H_1 0.8513 NA 0.0116 1.4049 0.0069 0.0066 3.1285 0.0088 1.1155 2.4659
LPC(16:1e)+H_2 0.8014 0.1423 1.0740 0.8614 0.9050 2.1989 0.1663 1.0013 1.0558 1.7936
LPC(16:1e)+Na 0.0606 0.0623 3.2725 0.8181 0.3343 1.7875 0.5032 1.5807 0.9077 0.6730
LPC(16:1)+H 0.4203 0.0387 2.8112 0.5327 0.5398 2.3755 0.6620 1.8835 0.6283 0.1080
LPC(16:1)+H_1 0.2608 0.0228 1.4500 0.0663 0.3658 1.7917 0.3817 1.2083 0.4775 3.9750
LPC(16:1)+HCOO 0.3457 0.0123 3.1077 0.5279 0.5784 2.3687 0.4682 1.9693 0.5876 0.0342
LPC(16:1)+Na 0.1880 NA 2.4461 0.0250 0.2315 3.0047 0.2754 1.9222 0.6799 0.2273
LPC(16:2e)+H 1.0584 0.0275 1.8281 0.3934 0.2561 2.5302 1.4174 1.3114 0.2557 0.9218
LPC(16:2e)+H_1 0.6905 NA NA 0.7638 NA 0.0105 2.7830 NA 0.3154 1.4369
LPC(16:2e)+H_2 1.1841 0.0206 0.4846 1.0894 0.3753 0.8671 1.6049 0.4864 1.3554 2.5322
LPC(16:2e)+Na 0.3884 0.0668 2.7966 0.4894 0.5438 2.4600 0.4428 1.7712 0.5775 0.4635
LPC(17:0)-CH3 0.3597 NA 3.6071 0.0129 0.0739 0.2841 0.3061 3.4209 0.2264 0.7089
LPC(17:0)-CH3_1 1.1069 0.0068 0.1511 0.9602 0.5156 2.1381 1.4427 0.2114 1.1778 2.2894
LPC(17:0)+H 0.9331 0.0450 0.0905 0.7634 0.4038 1.8984 1.2455 1.3459 1.0747 2.1997
LPC(17:0)+H_1 0.5033 0.0100 6.1878 0.1403 0.6435 0.4909 0.3824 0.6270 0.0784 0.9364
LPC(17:0)+HCOO 0.0342 0.0133 4.7437 0.1184 0.2869 0.0119 0.3241 4.2019 0.0197 0.2460
LPC(17:0)+HCOO_1 0.2393 NA 0.2629 0.9026 0.5768 2.0914 1.3913 0.1102 1.1624 2.2631
LPC(17:0)+Na 1.1962 NA 0.2121 1.8947 0.3318 0.8745 1.8194 1.8696 0.0177 0.7840
LPC(17:1)-CH3 0.0097 NA 3.5721 0.8530 0.3211 2.7252 0.0827 0.0787 0.9900 0.3675
LPC(17:1)+H 0.5113 0.0373 2.7878 0.7289 0.5976 2.3076 0.5942 1.5649 0.8118 0.0587
LPC(17:1)+HCOO 0.2549 NA 3.5004 0.7356 0.3487 2.4612 0.0851 0.4688 0.9530 0.1921
LPC(17:1)+Na 0.1109 0.0073 3.4543 0.7215 0.2856 2.1982 0.2587 1.8476 0.8763 0.2395
LPC(18:0)-CH3 0.8256 0.0447 0.8742 0.6441 1.1177 1.7994 1.0513 1.3103 0.7813 1.5515
LPC(18:0e)+H 0.8163 0.0757 0.9713 1.1346 0.6303 1.5376 1.4033 1.1842 1.3578 0.8887
LPC(18:0)+H 0.9355 0.0877 0.2666 0.9428 1.2227 2.2761 1.2375 1.5542 0.9870 0.4898
LPC(18:0)+HCOO 0.9021 0.0849 0.7266 0.6499 1.1626 2.1909 0.2550 1.4313 0.8884 1.7083
LPC(18:0)+Na 0.3332 0.0044 0.3705 0.4177 0.8728 2.8346 1.1289 1.8400 0.7484 1.4496
LPC(18:1)-CH3 0.2726 0.0577 0.4103 0.2494 0.5100 2.3331 0.4690 0.7562 1.0141 3.9276
LPC(18:1)-CH3_1 0.9397 0.0643 0.9802 1.1858 1.2154 0.8132 0.9516 2.7272 0.8745 0.2480
LPC(18:1D7)-CH3 1.2036 1.0435 0.5506 0.1517 2.1703 1.0499 0.8195 0.8195 0.2324 1.9590
LPC(18:1D7)+H 2.0827 0.7366 0.4318 0.0838 2.6986 0.6794 0.7493 0.7620 0.0679 1.7080
LPC(18:1D7)+H_1 0.5821 1.3088 0.7989 0.0567 1.7847 1.4299 0.9412 0.3718 0.2826 2.4433
LPC(18:1D7)+H_2 0.9585 1.1801 0.8658 0.2758 1.1507 0.7912 1.3473 3.0519 0.2044 0.1744
LPC(18:1D7)+HCOO 1.2263 1.1342 0.5763 0.1276 2.3322 1.0704 0.2892 0.9003 0.2594 2.0841
LPC(18:1D7)+HCOO_1 2.9126 1.8172 1.1959 0.0225 0.5024 1.7330 0.4966 0.3328 0.2734 0.7137
LPC(18:1e)+H 0.5656 0.0335 1.0889 0.9709 0.3993 2.0356 1.2734 1.2613 1.5547 0.8167
LPC(18:1)+H 0.8670 0.0262 1.2045 0.6343 0.6634 0.8903 0.7972 1.4140 0.8030 2.7000
LPC(18:1)+H_1 0.2347 0.0829 3.8512 1.0270 0.6028 2.2158 0.3935 0.6307 0.7033 0.2581
LPC(18:1)+H_2 0.3139 0.0359 4.0099 0.8521 0.1979 1.2689 0.4247 2.3479 0.3443 0.2045
LPC(18:1)+H_3 NA NA 1.4692 2.5133 NA NA NA 0.0000 0.0176 NA
LPC(18:1)+HCOO 0.8260 0.0585 1.0336 1.2192 0.7103 1.0160 0.8516 2.2175 0.9453 1.1220
LPC(18:1)+HCOO_1 0.1424 0.0560 3.4859 0.9096 0.1857 3.1605 0.2636 1.0989 0.4349 0.2624
LPC(18:1)+HCOO_2 0.4434 0.0158 0.6890 0.3873 2.0425 3.4304 0.6103 0.1861 1.5602 0.6349
LPC(18:1)+Na 0.2566 0.0733 3.2187 1.3527 0.4132 0.2523 0.4719 2.3488 1.4332 0.1792
LPC(18:1)+Na_1 0.1295 0.0135 4.9496 0.1607 0.1301 2.8333 0.1035 1.0524 0.3978 0.2296
LPC(18:2)-CH3 0.4972 0.0852 2.8689 0.7306 0.4911 1.7748 0.4437 1.5682 0.7561 0.7841
LPC(18:2e)+H 0.7255 0.0723 0.6821 0.7215 0.8871 1.9911 1.0685 1.3405 0.9305 1.5810
LPC(18:2)+H 0.3900 0.1011 3.0639 0.7040 0.4627 1.6592 0.5090 1.5699 0.7932 0.7470
LPC(18:2)+HCOO 0.3845 0.1152 3.0546 0.7339 0.4411 1.7176 0.4997 1.5907 0.7797 0.6831
LPC(18:2)+Na 0.2838 0.0377 3.3623 0.8060 0.2542 1.9267 0.3267 1.8218 0.8966 0.2842
LPC(18:3)-CH3 0.1120 0.0470 3.7007 0.5660 1.0852 1.8425 0.1718 1.7098 0.5699 0.1950
LPC(18:3)-CH3_1 0.3165 0.0650 2.8026 0.4385 0.6039 2.2481 0.3508 2.2481 0.5162 0.4103
LPC(18:3e)+H 0.2082 NA 2.1448 1.0617 0.1533 0.8781 0.8544 1.9315 1.3627 0.4053
LPC(18:3e)+H_1 1.9938 0.0277 0.7705 0.2325 1.4758 1.8110 0.0188 1.2146 0.8097 1.6456
LPC(18:3e)+H_2 0.1377 0.0339 4.4375 1.3037 0.4663 0.9652 1.0279 0.9101 0.1788 0.5390
LPC(18:3)+H 0.5282 0.1090 1.0131 0.7202 0.8787 1.0371 0.5474 3.7259 0.8259 0.6146
LPC(18:3)+HCOO 0.3252 0.0712 2.9787 0.4371 0.6030 2.2703 0.3269 2.1414 0.5015 0.3446
LPC(18:3)+Na 0.2456 0.0379 0.6113 0.5840 0.3815 3.4766 0.3089 3.3675 0.7586 0.2281
LPC(18:3)+Na_1 0.0616 0.0167 6.2442 0.1933 0.1121 1.5660 0.0644 1.2488 0.4083 0.0846
LPC(18:4)-CH3 0.2699 0.0099 3.4133 0.6433 0.2113 2.4126 0.1628 2.2964 0.4374 0.1432
LPC(18:4)+H 0.4462 0.0279 3.8958 0.3095 0.2326 2.9255 0.1712 1.0568 0.7120 0.2226
LPC(18:4)+H_1 0.2089 0.0433 3.2468 0.4669 0.6280 2.3281 0.1749 2.2778 0.4279 0.1976
LPC(18:4)+H_2 0.1976 NA 2.4554 0.0168 0.2417 2.9925 0.2781 1.9183 0.6829 0.2168
LPC(18:4)+HCOO 0.2252 0.0287 4.0154 0.5090 0.7392 2.7792 0.1726 0.8524 0.4888 0.1896
LPC(18:4)+Na 0.1266 0.0149 3.3187 0.4360 0.3583 2.3478 0.1615 2.5596 0.5649 0.1116
LPC(19:0)+H 1.0421 0.0865 0.4737 0.6297 0.9000 1.4879 1.2928 0.9585 0.9083 2.2206
LPC(19:0)+H_1 0.7872 0.0262 3.3154 1.7030 0.1605 0.8735 0.5430 0.0425 2.2573 0.2914
LPC(19:1)+H 0.0818 0.0082 5.8661 2.2808 0.6112 0.0523 0.2802 0.1372 0.1079 0.5743
LPC(19:1)+H_1 0.9067 0.0614 0.1543 0.0308 0.1668 2.5723 1.0654 1.8608 1.1931 1.9885
LPC(20:0)+H 0.3491 NA 2.3718 0.7204 0.1610 2.6254 0.3135 1.8645 0.3127 0.2815
LPC(20:0)+H_1 0.1902 0.0184 0.3943 1.1327 0.1718 0.5911 1.6778 0.5774 3.0064 2.2399
LPC(20:0)+H_2 1.0070 0.1106 0.5649 0.6587 0.9492 1.7415 1.1080 1.2037 0.8752 1.7812
LPC(20:1)-CH3 0.3336 NA 5.5345 0.1940 NA 0.9235 0.1522 0.2090 0.0987 0.5544
LPC(20:1)-CH3_1 1.1084 0.0312 0.6679 1.0559 0.3561 1.3465 0.8277 1.3532 0.8732 2.3799
LPC(20:1)+H 0.8433 0.0638 0.3641 0.8945 0.7806 1.9315 1.0028 1.3617 0.7521 2.0056
LPC(20:1)+H_1 0.4550 0.0424 5.2495 0.1735 0.3200 0.9899 0.3450 0.4300 1.0299 0.9649
LPC(20:1)+HCOO 0.4298 NA 0.5306 0.7775 0.1469 2.2767 1.1610 0.4301 0.8973 2.3500
LPC(20:1)+HCOO_1 0.0618 NA 3.7594 0.7803 NA 0.4257 0.2557 1.7127 0.2616 0.7429
LPC(20:2)-CH3 0.4951 NA 1.1417 1.4830 NA 0.5310 0.8237 0.9174 1.4666 1.1416
LPC(20:2)+H 0.3703 0.0389 2.2813 0.9023 0.2749 1.5833 1.2002 0.3013 0.9874 2.0600
LPC(20:2)+H_1 1.8438 0.1083 0.4484 1.2911 0.7615 0.6533 0.9702 1.7433 0.5412 1.6389
LPC(20:2)+HCOO 0.6394 NA 2.8900 1.7498 0.0000 0.3768 0.5619 0.9556 0.9370 0.8894
LPC(20:3)-CH3 0.4297 NA 2.4756 0.8314 0.0749 1.3652 0.6767 0.9001 1.2707 0.9755
LPC(20:3)+H 0.1090 0.2081 1.0297 1.7370 1.1579 0.7920 0.8461 0.1044 2.3120 1.7037
LPC(20:3)+H_1 0.5409 0.0453 2.5623 0.8937 0.3652 1.4346 0.7058 1.2543 1.2428 0.9551
LPC(20:3)+HCOO 0.5192 NA 3.3135 0.1238 0.0350 1.3052 0.9227 1.2392 1.4143 0.1272
LPC(20:4)-CH3 0.5966 0.0319 3.5513 1.0285 0.2726 2.0285 0.5966 0.2858 0.8580 0.7500
LPC(20:4)-CH3_1 0.3003 0.0525 2.7498 0.6505 0.6049 0.0709 0.1877 4.6274 0.3873 0.3686
LPC(20:4)+H 0.5922 0.0154 1.1106 0.4575 0.8357 2.7674 0.6088 1.7656 0.6955 1.1512
LPC(20:4)+H_1 0.5398 0.0770 3.6281 1.0153 0.4111 2.0335 0.4915 0.3453 0.8353 0.6232
LPC(20:4)+H_2 0.1290 0.0134 4.9294 0.1601 0.1296 2.8217 0.1031 1.0481 0.4371 0.2286
LPC(20:4)+H_3 0.1460 0.2109 4.3802 1.9738 0.0082 0.2285 0.3001 1.4736 1.1464 0.1322
LPC(20:4)+H_4 0.1945 0.0488 2.7312 0.4180 0.0147 0.8359 0.1837 4.9244 0.3704 0.2785
LPC(20:4)+HCOO 0.0900 0.0192 1.0363 1.3194 0.5479 2.8006 0.7835 2.2495 0.2993 0.8543
LPC(20:4)+HCOO_1 0.0863 0.0775 8.0622 0.4149 0.0934 0.5596 0.0738 0.1115 0.5041 0.0168
LPC(20:4)+Na 0.0612 0.0214 4.0174 1.2735 0.0468 2.4979 0.0669 0.7051 1.1888 0.1209
LPC(20:4)+Na_1 0.7004 0.0545 1.6848 0.3284 0.4798 0.6200 0.8897 4.2025 0.2210 0.8187
LPC(20:5)-CH3 0.4001 0.0764 3.3983 0.7263 0.3233 2.0308 0.3590 1.6444 0.6824 0.3590
LPC(20:5)+H 0.2968 0.0383 3.2899 0.7936 0.2687 1.9689 0.3421 1.8082 0.9192 0.2742
LPC(20:5)+H_1 0.2090 0.0356 7.0840 0.3719 0.1654 0.6216 0.3099 0.5295 0.3808 0.2922
LPC(20:5)+H_2 0.3871 0.0816 3.3133 0.7115 0.4206 2.0020 0.3460 1.6811 0.6808 0.3760
LPC(20:5)+HCOO 0.8686 0.0747 3.5894 0.5200 0.5159 1.6016 0.4770 1.7994 0.2233 0.3300
LPC(20:5)+HCOO_1 0.2922 0.0759 3.4915 0.7325 0.4345 1.9355 0.3378 1.6736 0.6736 0.3529
LPC(20:5)+Na 0.2219 0.0307 3.2956 0.7581 0.2610 2.0774 0.2589 2.0013 0.8875 0.2077
LPC(22:0)+H 0.7720 0.0273 0.6444 0.9379 0.9698 1.5377 1.1868 1.1612 1.2825 1.4803
LPC(22:1)+H 0.0301 0.0370 7.5132 0.4763 0.2666 0.1484 0.3674 0.2030 0.2249 0.7333
LPC(22:1)+H_1 0.7071 0.1081 0.2201 1.5404 0.6019 1.5488 1.3931 0.8670 1.3721 1.6414
LPC(22:4)+H 0.1218 0.0058 7.1248 0.6309 0.5580 0.0985 0.2777 0.0563 0.7726 0.3537
LPC(22:4)+H_1 0.8984 0.0568 0.0904 1.7459 0.2589 1.6828 1.0441 1.4375 1.4278 1.3574
LPC(22:5)-CH3 0.4371 0.0511 3.8867 1.6328 0.4400 0.3493 1.1720 0.2256 1.0518 0.7536
LPC(22:5)-CH3_1 0.1940 0.1135 0.2152 0.5149 0.7545 2.1191 0.7894 1.7816 2.3002 1.2176
LPC(22:5)+H 0.7247 0.1044 3.8441 1.5503 0.6890 0.0954 0.9117 0.1164 0.9747 0.9894
LPC(22:5)+H_1 0.4878 0.1392 0.1582 0.2368 0.6579 0.3367 0.6187 6.0202 0.8079 0.5366
LPC(22:5)+HCOO 0.0949 0.0844 4.3414 1.8000 0.7143 0.4557 0.9887 0.2965 1.0077 0.2164
LPC(22:5)+HCOO_1 0.4563 0.2051 1.2439 0.5744 1.7197 1.2330 1.2795 1.6148 0.4824 1.1908
LPC(22:5)+Na 0.9139 0.0928 1.1766 0.7311 0.3362 0.8510 1.5536 0.6831 2.8102 0.8515
LPC(22:5)+Na_1 0.0107 0.0235 0.1409 0.2045 0.1126 4.1562 0.1385 3.8676 1.1574 0.1881
LPC(22:6)-CH3 0.4752 0.1039 3.0081 1.0583 0.3978 1.4277 0.7869 0.9318 1.1444 0.6659
LPC(22:6)+H 0.4492 0.1045 3.0301 1.0685 0.3588 1.4885 0.7549 1.0020 1.1084 0.6352
LPC(22:6)+HCOO 0.0417 0.1249 3.2318 1.1017 0.4216 1.5057 0.7786 0.9622 1.1605 0.6713
LPC(22:6)+Na 0.2715 0.0449 3.0459 1.2534 0.1911 1.6176 0.6007 1.2203 1.4000 0.3547
LPC(24:1)+H 0.7263 0.0293 0.7263 0.9437 0.5042 1.6008 1.3439 0.9832 1.6305 1.5119
LPE(16:0)+H 1.1248 0.1214 0.1888 0.7472 0.3992 0.0591 1.4904 1.8599 1.1610 2.8482
LPE(16:0)-H 0.6975 0.0379 0.1766 0.6357 1.2037 2.0336 0.9830 1.4803 1.0124 1.7393
LPE(16:1e)-H 0.6496 0.0220 0.7592 1.0609 0.0209 1.1305 1.0088 0.9218 1.0175 3.4089
LPE(16:1)-H 0.3013 NA 2.9108 0.3116 0.5982 2.3137 0.1912 1.8454 0.4497 0.0783
LPE(18:0e)-H 0.4868 NA 1.3372 0.9320 NA 1.5716 1.6060 0.1966 1.4216 0.4482
LPE(18:0)+H 0.6254 0.0737 0.7146 0.7435 0.9960 1.7719 1.0064 1.1813 1.1153 1.7719
LPE(18:0)-H 0.2697 NA 0.7539 0.1735 1.9500 1.9264 0.5987 1.0896 1.2897 0.9485
LPE(18:0)-H_1 0.6081 0.0191 0.7653 0.8277 1.0439 1.7918 1.0601 1.1907 0.9479 1.7456
LPE(18:1D7)+H 1.1290 1.0546 0.5978 0.1547 2.1810 1.0854 0.8313 0.8211 0.2745 1.8705
LPE(18:1D7)-H 0.3251 1.2003 0.6533 0.1775 2.3224 1.1659 0.9252 0.8939 0.2985 2.0379
LPE(18:1D7)+Na 1.1648 1.1733 0.5470 0.1465 2.1255 1.0004 0.8077 0.8219 0.2434 1.9696
LPE(18:1e)-H 0.5283 0.0290 0.7965 0.8828 0.3629 1.5465 1.2080 0.9226 1.2080 2.5155
LPE(18:1)+H 0.2819 0.0183 1.1277 0.0893 0.8489 6.5531 0.2255 0.6462 0.1096 0.0995
LPE(18:1)-H 1.1476 0.0046 0.0366 0.0102 4.7448 0.6134 1.0550 0.6172 0.2045 1.5662
LPE(18:1)-H_1 0.1063 0.0346 2.5553 0.3500 0.3857 3.2458 0.4341 2.7299 0.0162 0.1421
LPE(18:2e)-H 0.6336 NA 0.1351 0.8637 0.0548 1.7842 1.3221 0.2309 1.3618 2.6138
LPE(18:2)+H 0.3605 0.0634 3.1911 0.3339 0.7978 1.9619 0.3546 2.0240 0.4993 0.4137
LPE(18:2)-H 0.3275 0.0366 2.9134 0.2817 0.6549 2.3596 0.3178 2.1766 0.4093 0.5225
LPE(18:3)+H 0.2126 0.0203 2.7436 0.1634 0.7339 2.7094 0.1500 2.8294 0.2572 0.1801
LPE(18:3)-H 0.2224 0.0275 3.3202 0.1692 0.1425 2.8205 0.1692 2.6755 0.2708 0.1821
LPE(18:4)+H 0.0851 NA 1.2954 0.0304 0.9415 3.2774 0.0323 3.2633 0.0597 0.0149
LPE(18:4)-H 0.0816 NA 2.6512 0.1106 0.6816 2.6887 0.0559 2.5224 0.1717 0.0364
LPE(19:0)-H 0.2831 NA 0.5064 1.1173 0.5203 1.2943 1.9028 0.3022 1.6606 1.4132
LPE(20:0)-H 0.4115 NA 0.4614 0.7834 NA 1.2904 1.4110 0.4637 1.1090 2.0696
LPE(20:1)-H 0.3158 NA 0.3032 0.6891 1.6437 3.4698 0.7863 0.4460 0.7306 0.6156
LPE(20:3)-H 0.0884 0.0347 3.4678 0.6767 0.7603 2.7212 0.5358 0.1317 1.2234 0.3600
LPE(20:4)+H 0.6434 0.1279 3.1540 0.6687 0.5456 1.6653 0.6529 1.0345 0.7002 0.8074
LPE(20:4)-H 0.6762 0.0626 3.0765 0.7633 0.4175 1.7408 0.0358 1.7709 0.7264 0.7298
LPE(20:5)-H 0.4155 0.0471 3.1456 0.4253 0.4675 2.0743 0.4610 1.9802 0.5681 0.4155
LPE(22:5)-H 0.0924 0.1929 3.6468 0.8365 0.2002 1.1960 1.4015 1.2327 1.0273 0.1737
LPE(22:6)+H 0.4571 0.0895 3.1295 0.6893 0.3335 1.4895 0.8794 1.1409 1.1963 0.5950
LPE(22:6)-H 0.4789 0.0994 3.1089 0.7303 0.3370 1.4814 0.8868 1.1685 1.0746 0.6343
LPE(22:6)+Na 0.6055 0.0951 2.5618 0.6081 0.3447 1.7024 1.0149 1.2850 1.0722 0.7102
LPG(16:0)-H 0.1002 NA 1.9013 0.6600 0.2389 2.4148 0.3694 1.6262 0.9572 0.7321
LPG(18:1)-H 0.3929 0.0178 2.9784 0.5738 0.4419 1.7148 0.5257 2.3853 0.7994 0.1700
LPG(18:1)-H_1 0.4216 0.0000 6.9112 0.1755 0.6828 0.1689 0.1174 0.3525 0.7257 0.4443
LPG(18:3)-H 0.3727 NA 2.8759 0.2936 0.0652 1.9521 0.0296 2.0266 0.3845 NA
LPG(22:6)-H 0.2534 NA 2.9484 0.4102 0.2265 1.8053 1.1157 1.0659 0.8802 0.2943
LPI(18:0)-H 0.3786 0.0503 2.1537 1.4943 0.9572 0.2709 0.5252 0.4159 3.5894 0.1645
LPI(18:1)-H 0.0425 NA 6.1713 1.4372 0.0637 0.2023 0.1629 0.5764 0.2868 0.0569
LPI(18:2)-H NA 0.0284 3.9516 1.0110 NA 0.4821 0.0283 0.2891 1.2095 NA
LPI(18:3)-H NA NA 4.7382 0.6112 0.0354 0.5141 0.0480 0.4377 0.6154 NA
LPI(20:3)-H NA NA 1.9897 0.2605 NA NA 0.1936 NA 1.5562 NA
LPI(20:4)-H 0.4142 0.0356 3.9250 1.9917 0.1133 0.3750 0.5792 0.0124 2.2000 0.3537
LPI(20:5)-H 0.0773 NA 3.3453 1.4460 0.0538 0.3242 0.4381 0.3037 2.0116 NA
LPI(22:6)-H 0.2730 0.0295 3.6995 1.8536 0.0825 0.1550 0.5294 0.0998 2.8325 0.4451
LPS(22:6)+H NA NA 1.2139 0.7077 NA NA 0.5957 NA 1.4826 NA
LPS(22:6)-H NA NA 2.8334 1.4261 NA 0.0076 0.1021 0.0048 2.6135 0.0125
LPS(22:6)-H_1 0.0642 NA 4.1763 2.1020 0.0367 0.8186 1.6020 0.0167 0.0835 0.1001
LSM(t20:0)+H 1.0100 1.2439 0.6598 0.1636 1.7171 0.8748 0.7639 1.0398 0.2420 2.2850
MG(18:3)+H 1.1077 0.1026 1.5890 0.6959 0.5198 1.5890 1.0323 1.6818 0.9859 0.6959
MG(20:4)+H 1.3653 0.0844 1.0310 0.6568 0.7842 1.4768 1.2817 1.2141 0.8916 1.2141
MG(20:5)+H 1.1935 0.0069 1.1761 0.6553 0.5323 1.5276 1.2803 1.3453 1.0372 1.2455
MG(22:4)+H 0.0228 0.0771 3.2231 0.3065 0.2109 2.2958 0.8295 2.3829 0.4597 0.1917
MG(22:4)+H_1 1.2157 0.0752 1.1921 0.4696 0.9832 1.6334 1.2973 1.4418 0.7900 0.9015
MG(22:5)+H 1.2728 0.1228 1.0635 0.8672 0.1889 1.6287 1.3591 1.5748 1.3806 0.5416
MG(22:5)+H_1 1.0946 0.2219 0.7349 0.7141 1.1258 0.8809 2.1214 0.7870 0.9486 1.3708
MG(22:6)+H 1.4154 0.1012 1.0451 0.7719 0.9957 1.2344 0.5439 1.3002 1.0533 1.5388
PA(18:0_22:6)-H 0.3864 0.0161 1.5663 2.2908 0.1579 0.3794 0.4623 0.1602 4.2228 0.3578
PA(22:6_22:6)-H 0.0204 0.0040 1.2409 2.2739 NA 0.0254 0.4784 0.0046 3.9524 NA
PA(22:6_22:6)-H_1 0.1461 0.0362 2.8831 1.7794 0.0907 1.6161 2.8662 0.0297 0.5175 0.0352
PC(10:0e_10:4)+Na 0.6767 0.0527 1.9662 0.3173 0.4636 0.5990 0.8596 4.0603 0.2135 0.7910
PC(10:0e_24:2)+H 1.2452 0.2441 1.1668 0.4795 1.4707 1.2256 0.8491 1.3335 0.4853 1.5001
PC(14:0_18:3)-CH3 1.6674 0.0193 0.7472 0.5249 0.8638 1.2616 1.8174 1.1645 0.6458 1.2881
PC(14:0_18:3)+HCOO 1.2871 0.0545 0.7552 0.5177 1.1684 1.3774 1.3251 1.3251 0.6839 1.5056
PC(14:0_18:3)+HCOO_1 1.5558 NA 1.8179 0.7407 0.1091 0.8207 1.1974 1.8179 0.7211 0.2193
PC(14:0_20:5)-CH3 1.1436 0.0793 1.1436 0.4592 1.0731 1.8454 0.9444 1.7501 0.5822 0.9790
PC(14:0_20:5)+HCOO 1.1571 0.0953 1.3788 0.5987 0.4856 1.5659 1.2749 1.5451 0.6929 1.2056
PC(14:0_22:5)+H 0.8193 0.9961 0.5021 0.0317 2.5412 0.7400 0.6485 1.9211 0.0191 1.7809
PC(14:0_22:6)-CH3 0.8220 0.4690 0.8666 0.8475 1.2999 0.5780 1.6122 0.6117 1.0387 1.8543
PC(14:0_22:6)+HCOO 1.3291 0.2400 0.5900 0.6022 1.0888 1.0736 1.7640 0.7908 0.7756 1.7458
PC(14:1e_22:5)+H 1.1029 0.0960 1.2832 0.8993 0.9417 1.3680 1.2090 1.3150 0.8325 0.9523
PC(14:1e_22:6)+H 1.5318 0.1149 1.0785 0.5383 0.7615 1.3140 1.2414 1.2166 0.6570 1.5460
PC(15:0_16:0)-CH3 1.5276 0.2320 0.9634 0.5028 0.4836 1.5276 1.5352 1.0324 0.5335 1.6619
PC(15:0_16:0)-CH3_1 1.9037 0.3386 0.4963 0.3005 1.3462 1.0362 1.1096 0.7574 0.3862 2.3253
PC(15:0_16:0)+HCOO 2.1857 0.2398 0.4312 0.1713 1.0740 0.6616 1.4060 0.4513 0.2717 3.1073
PC(15:0_16:1)-CH3 1.6855 0.0950 1.0816 0.0977 0.9519 1.1627 1.0996 1.3430 0.4732 2.0099
PC(15:0_18:1)-CH3 1.5332 0.1762 1.4551 0.5743 1.1875 1.6057 1.2043 1.0872 0.8809 0.2957
PC(15:0_18:1)+HCOO 1.8286 0.0608 1.2697 0.5736 1.0148 1.8825 1.2942 1.5589 0.3035 0.2135
PC(15:0_18:2)-CH3 2.1121 0.2482 0.1104 0.4533 1.1927 1.3245 1.3567 0.0259 0.5626 2.6137
PC(15:0_18:2)-CH3_1 1.3476 0.2350 1.3972 1.0688 0.6979 0.6721 0.7859 1.4753 0.3298 1.9904
PC(15:0_18:2)+H 1.2574 0.2620 0.9129 0.4184 1.1940 1.4265 1.1623 1.3314 0.4396 1.5955
PC(15:0_18:2)+HCOO 1.6652 0.1954 0.8409 0.3627 1.1074 1.0882 1.1899 0.7502 0.4699 2.3302
PC(15:0_18:3)-CH3 2.0601 0.0664 0.7695 0.6604 1.0119 0.2137 2.2237 0.1465 0.7937 2.0540
PC(15:0_18:3)-CH3_1 0.9857 0.1794 0.9461 1.3364 1.5655 0.9428 1.6894 0.7807 0.1332 1.4408
PC(15:0_18:3)-CH3_2 0.8216 0.0154 0.8394 0.2456 0.4659 3.4470 0.4069 2.8487 0.4385 0.4711
PC(15:0_18:3)+HCOO 2.4084 0.0108 0.0699 0.0162 1.1247 0.1094 1.8574 1.6416 0.2567 2.5050
PC(15:0_18:3)+HCOO_1 1.2982 0.0656 0.6278 0.1337 0.1869 2.7132 1.9081 0.2073 1.5529 1.3062
PC(15:0_20:5)-CH3 1.2209 NA 0.0569 0.6951 2.0943 0.1314 1.6343 1.6615 0.6927 0.8128
PC(15:0_20:5)-CH3_1 2.0591 0.0755 0.4363 0.3301 0.7583 0.7877 1.0949 0.6087 0.6545 3.1949
PC(15:0_20:5)+HCOO 0.4833 0.1158 0.8079 0.0744 0.2199 0.2265 0.5680 0.9106 0.4355 6.1581
PC(15:0_20:5)+HCOO_1 2.7608 0.4090 0.1833 0.6166 0.5850 0.4986 0.3297 2.4181 0.4443 1.7545
PC(15:0_20:5)+Na 1.9686 0.0467 0.5374 0.4351 0.3681 1.1221 1.4765 1.2442 0.4784 2.3230
PC(15:0_22:5)+H 0.0685 0.0516 0.1631 1.3055 0.0610 0.6343 3.1645 0.2376 2.2917 2.0221
PC(15:0_22:6)-CH3 2.2017 0.1439 0.4820 0.3767 1.2376 0.8206 1.6479 0.6121 0.5829 1.8945
PC(15:0_22:6)-CH3_1 1.2772 0.0302 0.9567 0.6570 0.4539 1.8544 1.1900 1.6088 0.8818 1.0900
PC(15:0_22:6)-CH3_2 1.5849 0.0398 1.1832 0.8342 0.6156 0.1287 1.5972 0.8158 1.1733 2.0272
PC(15:0_22:6)+H 1.3241 0.6218 0.7269 0.2393 2.0309 1.0691 1.0557 0.7962 0.3019 1.8340
PC(15:0_22:6)+H_1 0.0799 0.0135 1.6056 0.7232 0.2919 2.1397 2.0833 1.8743 0.9819 0.2067
PC(15:0_22:6)+HCOO 0.1344 0.1878 1.2953 0.8531 0.9529 1.7946 1.6548 1.6862 0.8074 0.6334
PC(15:0_22:6)+HCOO_1 2.3760 0.0797 0.3987 0.5826 0.6108 0.5141 0.8618 0.2591 0.6121 3.7050
PC(15:0_22:6)+Na 0.5345 0.1530 1.0308 0.0709 1.3815 1.1690 0.5643 0.1180 0.0576 4.9203
PC(16:0_14:0)-CH3 1.3073 0.3871 0.6871 0.3777 1.6944 1.0229 1.4643 0.8394 0.5254 1.6944
PC(16:0_14:0)+HCOO 1.3362 0.5300 0.6018 0.3683 1.9537 0.8668 1.5832 0.7422 0.5019 1.5158
PC(16:0_14:0)+Na 0.9343 1.5845 0.2961 0.0692 4.0013 0.5042 0.5262 0.2681 0.0716 1.7446
PC(16:0_16:0)-CH3 1.4863 0.4084 0.7375 0.3154 1.3547 1.3320 1.2389 1.0778 0.4629 1.5861
PC(16:0_16:0)+HCOO 1.4357 0.4320 0.7528 0.3258 1.3358 1.3358 1.2335 1.0936 0.4569 1.5980
PC(16:0_16:0)+Na 0.0763 3.5476 0.2747 0.0281 2.7580 0.5383 1.0298 0.5338 0.3081 0.9053
PC(16:0_16:1)-CH3 1.3076 0.1767 0.8633 0.3973 1.1562 0.9694 1.5802 1.3783 0.5453 1.6257
PC(16:0_16:1)-CH3_1 0.5870 0.4965 1.4778 0.0643 1.8137 2.5964 1.8224 0.6922 0.1752 0.2745
PC(16:0_16:1)+HCOO 1.3177 0.1946 0.8501 0.4082 1.0904 1.4624 1.3384 1.2764 0.5503 1.5115
PC(16:0_16:1)+HCOO_1 1.2943 0.1956 0.4829 0.1156 2.5490 2.6044 0.3174 0.9341 0.3273 1.1795
PC(16:0_16:1)+Na 0.7709 0.9414 0.2461 0.1041 3.5940 0.6616 0.5003 0.4554 0.0103 2.7159
PC(16:0_17:0)-CH3 1.7235 0.2516 0.6791 0.3981 1.0686 1.2513 1.2840 0.9893 0.5102 1.8442
PC(16:0_17:0)-CH3_1 1.6927 0.1764 0.7510 0.4554 0.8583 1.3708 1.2040 1.1146 0.6485 1.7285
PC(16:0_17:0)+HCOO 1.8018 0.1111 0.7272 0.2572 0.4988 1.3448 1.8279 1.0093 0.2807 2.1412
PC(16:0_17:0)+HCOO_1 1.7844 0.0189 0.8096 0.4404 0.8466 1.4522 1.2813 1.1010 0.5761 1.6895
PC(16:0_17:0)+Na 0.6897 0.6641 0.5667 0.2667 2.7179 1.4077 1.0615 0.6744 0.4128 1.5385
PC(16:0_18:1)-CH3 0.5993 0.3128 0.6380 0.1375 0.9684 0.3511 1.0743 0.7999 3.0141 2.1046
PC(16:0_18:1)-CH3_1 1.2489 0.1740 0.9483 0.4519 0.9678 1.6368 1.2756 1.3130 0.7988 1.1849
PC(16:0_18:1)-CH3_2 1.4551 0.3351 0.8137 0.3469 1.2206 1.4689 1.1999 1.1172 0.4565 1.5861
PC(16:0_18:1)+HCOO 1.4274 0.3430 0.7930 0.3866 1.2688 1.4155 1.1657 1.1657 0.5075 1.5266
PC(16:0_18:1)+HCOO_1 0.4762 1.3812 0.1825 0.2162 1.2643 0.2416 0.5774 0.5960 3.1736 1.8911
PC(16:0_18:1)+HCOO_2 1.0651 0.9996 0.8248 0.1581 1.7921 0.9330 0.9079 1.4491 0.7289 1.1413
PC(16:0_18:1)+Na 0.8555 2.6695 0.3685 0.0783 2.6925 0.6111 0.4048 0.4888 0.0360 1.7950
PC(16:0_18:2)-CH3 1.3473 0.3057 0.7462 0.3770 1.3603 1.2476 1.3214 1.0636 0.5208 1.7101
PC(16:0_18:2)+HCOO 1.9235 0.1622 1.3484 0.4541 0.8846 0.8973 0.6217 1.2989 1.0510 1.3583
PC(16:0_18:2)+HCOO_1 0.0965 0.0161 0.5188 0.3182 0.3130 3.6960 1.3085 0.5969 0.5785 2.5574
PC(16:0_18:2)+HCOO_2 1.3079 0.2783 0.6765 0.3660 1.2177 1.3208 1.4947 1.1017 0.5676 1.6687
PC(16:0_18:2)+Na 1.4868 0.1961 0.7755 0.3608 1.3461 1.2658 1.1251 1.1251 0.4219 1.8966
PC(16:0_18:3)-CH3 1.3273 0.1050 0.6567 0.5015 1.0197 1.3910 1.3938 1.2164 0.6650 1.7235
PC(16:0_18:3)-CH3_1 1.0323 0.1684 1.3665 0.2659 0.3047 2.8254 0.9621 2.4376 0.1163 0.5208
PC(16:0_18:3)+HCOO 1.4609 0.0990 0.7234 0.4819 0.8023 1.5551 1.3902 1.4020 0.7187 1.3666
PC(16:0_18:3)+Na 1.2079 0.5754 0.3791 0.0853 3.2768 0.8447 0.6651 0.5060 0.0073 2.4525
PC(16:0_20:4)-CH3 2.1955 0.2596 0.7621 0.3000 1.8046 0.3738 0.6009 0.7437 0.5230 2.4369
PC(16:0_20:4)-CH3_1 1.7422 0.2273 0.7367 0.4859 1.1484 1.2109 1.1172 1.0781 0.4172 1.8359
PC(16:0_20:4)+HCOO 1.7375 0.2210 0.6379 0.4857 1.1583 1.3211 1.0809 1.1583 0.4324 1.7668
PC(16:0_20:5)-CH3 1.4829 0.1934 0.7771 0.5633 0.9569 1.3811 1.2827 1.1503 0.6922 1.5202
PC(16:0_20:5)+HCOO 1.5590 0.1782 0.7765 0.5241 0.9235 1.3333 1.3007 1.1418 0.6592 1.6036
PC(16:0_20:5)+Na 1.3418 0.5694 0.4059 0.0909 3.1197 0.8753 0.6149 0.7087 0.0321 2.2413
PC(16:0_21:0)-CH3 2.0723 0.1581 0.4393 0.4145 1.0203 0.6205 1.6126 0.7228 0.7628 2.1768
PC(16:0_21:0)+HCOO 1.4812 0.1208 0.4892 0.8812 0.7244 1.2650 1.4163 0.8595 1.1785 1.5839
PC(16:0_22:0)-CH3 0.8733 0.2088 0.4707 0.5011 1.0486 1.7194 2.0024 0.8618 0.9928 1.3210
PC(16:0_22:1)-CH3 1.0941 0.2391 0.7850 0.6542 1.0670 1.5543 1.3309 1.0941 0.8888 1.2926
PC(16:0_22:1)+HCOO 1.1046 0.2219 0.7613 0.6901 1.0322 1.4713 1.4362 1.1794 0.9236 1.1794
PC(16:0_22:1)+Na 1.4308 0.1853 0.7568 0.3706 1.1377 1.5256 1.3360 1.2239 0.4042 1.6290
PC(16:0_22:6)-CH3 1.6731 0.0695 0.0866 0.0297 1.3218 1.2188 0.5104 0.7197 1.9039 2.4664
PC(16:0_22:6)-CH3_1 1.2921 0.3441 0.7690 0.4647 1.2312 1.2797 1.5033 0.8821 0.6311 1.6027
PC(16:0_22:6)-CH3_2 1.3956 0.0978 0.8150 0.5214 1.1731 1.3166 1.3298 1.0770 0.7597 1.5141
PC(16:0_22:6)+HCOO 1.3236 0.2844 0.7684 0.4616 1.1273 1.3068 1.5311 0.9703 0.6618 1.5648
PC(16:0_22:6)+HCOO_1 1.4019 0.3386 0.7868 0.3206 1.0519 1.2204 1.6277 1.0110 0.5889 1.6522
PC(16:0_22:6)+Na 0.0600 5.8015 0.9067 0.1773 0.7089 0.0364 1.7635 0.0433 0.0278 0.4745
PC(16:0_23:0)-CH3 0.8602 NA 0.6021 0.7963 0.6829 1.1100 1.5765 0.9027 1.2152 1.2541
PC(16:0_23:0)+HCOO 1.1929 0.1526 0.7066 0.6854 0.7642 0.9938 1.4558 0.9432 0.9624 2.1432
PC(16:0_23:1)+H 1.2463 0.0855 0.8092 0.7910 0.6126 1.4913 1.4097 1.1677 1.0406 1.3461
PC(16:0_23:1)+HCOO 1.3707 0.0955 0.9463 0.6194 0.7800 1.4797 1.3305 1.0381 1.0094 1.3305
PC(16:0_24:0)-CH3 1.1896 0.1555 0.6826 0.6138 0.9924 1.1794 1.6021 0.8456 1.4901 1.2489
PC(16:0_24:0)+HCOO 0.5492 0.2322 0.9760 0.6082 0.8700 0.8012 3.1611 0.6971 1.2310 0.8740
PC(16:0_24:1)-CH3 0.8559 0.1052 0.9364 0.5921 0.8978 1.9500 1.4866 1.1938 0.9300 1.0522
PC(16:0_24:1)+HCOO 0.9668 0.1297 0.9510 0.5483 0.8802 1.7316 1.3175 1.2886 1.1198 1.0664
PC(16:0e_16:0)-CH3 1.1868 0.1230 1.3124 0.9928 0.7646 1.4265 1.1925 1.3580 0.6733 0.9700
PC(16:0e_16:0)+HCOO 1.3087 0.1095 1.2170 1.0420 0.7294 1.4088 1.1587 1.3879 0.7961 0.8419
PC(16:0e_18:1)+H 1.0479 0.0328 1.3079 0.7959 0.7159 1.4639 1.2399 1.6799 0.7679 0.9479
PC(16:0e_18:3)+HCOO 1.6513 0.0174 0.5444 0.6832 0.3799 0.9426 2.1628 1.3591 0.5495 1.7098
PC(16:0e_20:4)+HCOO 1.6223 0.1404 0.9080 0.9891 0.9865 1.4339 0.9263 1.3607 0.4841 1.1487
PC(16:0e_20:5)+HCOO 1.5963 0.1119 0.9066 0.8719 0.8915 1.1882 1.2183 1.4216 0.5753 1.2183
PC(16:0e_22:5)+HCOO 1.5484 0.1123 0.9811 0.8147 0.6910 1.2413 1.2498 1.6252 0.5801 1.1560
PC(16:0e_22:6)+HCOO 1.2744 0.1905 1.0016 0.8182 1.0299 1.2321 1.4625 1.2509 0.6725 1.0675
PC(16:1_14:0)+HCOO 1.1026 0.1244 0.7442 0.4978 1.2154 1.0726 1.7724 0.9879 0.6712 1.8115
PC(16:1_16:1)-CH3 1.4931 0.2207 0.6629 0.6092 1.0670 1.5247 1.3069 1.0354 0.7197 1.3605
PC(16:1_16:1)+HCOO 1.1722 0.1850 0.9111 0.5654 1.2880 1.4540 1.2483 1.1117 0.6570 1.4073
PC(16:1_18:2)-CH3 1.2730 0.1202 0.7252 0.4613 0.9647 1.2752 1.3195 1.0889 0.7119 2.0602
PC(16:1_18:2)+HCOO 1.3518 0.1361 0.8778 0.3950 1.0797 1.5186 1.2465 1.2816 0.6733 1.4396
PC(16:1_18:3)-CH3 1.0472 0.0502 1.0714 0.4060 0.8322 1.9317 1.0794 1.7648 0.5668 1.2503
PC(16:1_18:3)+HCOO 1.2891 0.0683 0.8399 0.4532 0.8022 1.6659 1.3684 1.5766 0.7268 1.2097
PC(16:1_18:3)+Na 1.7198 0.0602 0.8272 0.2794 1.2103 1.6561 0.8599 1.4832 0.0749 1.8290
PC(16:1_22:6)-CH3 1.2839 0.1362 0.7911 0.6107 0.7726 1.0919 1.9223 0.7796 1.1543 1.4574
PC(16:1_22:6)+HCOO 1.2498 0.0940 0.7827 0.6559 0.7301 1.1558 1.8887 0.8213 1.2310 1.3907
PC(16:1_22:6)+Na 1.5285 0.0879 0.8122 0.2060 1.1150 1.1814 1.3586 0.8787 0.2621 2.5696
PC(16:1D5_18:0)-CH3 1.1933 0.3675 1.1146 0.3580 1.2912 1.4678 1.3866 1.0979 0.5561 1.1671
PC(16:1e_16:0)+H 1.7654 0.2198 0.8476 0.3034 1.4088 1.1574 1.1282 0.9704 0.3461 1.8530
PC(16:1e_18:0)+H 1.0960 0.0979 1.3488 0.6131 0.8036 1.4733 1.2224 1.6205 0.6263 1.0979
PC(16:1e_18:0)+HCOO 1.0421 0.1145 1.2368 0.8807 0.6814 1.5460 1.1796 1.6033 0.8555 0.8601
PC(16:1e_18:0)+Na 1.3931 0.1876 1.0583 0.3449 1.3257 1.2808 0.8786 1.5054 0.2281 1.7976
PC(16:1e_18:1)-CH3 2.0275 NA 0.2532 0.6896 0.1150 0.3408 2.6144 0.4410 0.4642 2.0542
PC(16:1e_18:1)-CH3_1 1.2080 0.2599 1.1521 0.5883 1.3067 1.6330 1.0313 1.1185 0.6465 1.0558
PC(16:1e_18:1)+H 2.0495 0.0899 0.2301 0.5031 0.6733 0.3773 2.5748 0.2612 0.3367 2.9041
PC(16:1e_18:1)+HCOO 2.1696 0.0273 0.1993 0.7451 0.1944 0.2469 3.4530 0.1706 0.3841 2.4097
PC(16:1e_18:1)+HCOO_1 1.1127 0.2692 1.1786 0.5688 1.2957 1.7056 0.9224 1.1786 0.6120 1.1566
PC(16:1e_18:3)+H 2.4689 0.0022 0.2087 0.5527 0.0765 0.2025 3.5536 0.2014 0.7087 2.0247
PC(16:1e_18:3)+HCOO 2.5390 0.0944 0.3389 1.0069 0.9064 0.4145 3.0206 0.4566 0.3591 0.8636
PC(16:1e_20:5)+HCOO 1.7018 0.1789 0.4236 0.7942 1.0475 0.5559 2.3863 0.4652 0.9530 1.4938
PC(16:1e_22:6)-CH3 1.0095 0.0424 1.0764 0.7461 0.0755 0.2475 3.7202 0.3340 1.0868 1.6616
PC(16:1e_22:6)-CH3_1 2.3558 0.0340 0.1063 0.5411 0.0629 0.2050 3.4982 0.1249 0.3116 2.7603
PC(16:1e_22:6)+HCOO 2.2646 0.0176 0.3564 0.7211 0.0900 0.2388 3.3174 0.1977 0.6635 2.1330
PC(16:1e_22:6)+HCOO_1 2.3677 0.0489 0.0878 0.5228 0.2192 0.1805 3.5280 0.1899 0.3352 2.5200
PC(16:2e_22:6)-CH3 2.1416 NA 0.0855 0.6947 0.0162 0.0871 3.4734 0.0558 0.3716 2.0742
PC(17:0_18:1)-CH3 1.7936 0.1965 0.6927 0.4382 1.1975 1.1492 1.3747 0.9397 0.6068 1.6110
PC(17:0_18:1)-CH3_1 1.4762 0.1217 0.8741 0.5842 0.8295 1.3825 1.1595 1.3245 0.6734 1.5743
PC(17:0_18:1)-CH3_2 1.2528 0.2069 0.7644 0.5096 1.0022 1.4397 1.3462 0.9895 0.8621 1.6265
PC(17:0_18:1)-CH3_3 1.1604 0.0920 0.8596 0.3467 0.2240 1.2713 1.5677 1.7696 0.9906 1.7181
PC(17:0_18:1)+HCOO 1.8236 0.1447 0.6753 0.4948 0.7375 1.4657 1.6897 0.8900 0.7033 1.3754
PC(17:0_18:1)+HCOO_1 1.7329 0.0881 0.8257 0.5431 0.8237 1.3230 1.3230 1.1659 0.6546 1.5200
PC(17:0_18:2)-CH3 1.4802 0.2004 0.6523 0.4192 1.0309 1.3492 1.3099 1.1763 0.5737 1.8077
PC(17:0_18:2)-CH3_1 1.5661 0.1318 0.8795 0.4734 0.8061 1.4245 1.2122 1.2741 0.5955 1.6369
PC(17:0_18:2)+HCOO 1.6084 0.1169 0.7366 0.2663 1.0070 1.3651 1.2503 1.0881 0.7366 1.8247
PC(17:0_18:2)+HCOO_1 1.3088 0.1097 0.7031 0.4702 0.9107 1.9399 1.2622 1.0759 0.6057 1.6138
PC(17:0_20:1)-CH3 1.1408 0.2519 0.8724 0.4542 2.0394 1.1270 0.1707 1.6243 0.7313 1.5880
PC(17:0_20:1)+HCOO 1.2093 0.0221 1.0532 0.8619 0.8522 1.5501 1.2972 1.1763 1.0026 0.9751
PC(17:0_20:2)-CH3 1.7603 0.0107 0.2597 0.6057 0.8724 1.4651 1.7056 1.2245 0.8714 1.2245
PC(17:0_20:2)+HCOO 1.7558 0.1359 0.6334 0.6445 0.8705 1.1187 1.3187 1.1187 0.6853 1.7187
PC(17:0_20:3)-CH3 1.8186 0.0858 0.0253 0.6109 0.0628 1.5038 1.5414 1.2453 0.8882 2.2181
PC(17:0_20:3)+HCOO 1.7341 0.1056 0.7397 0.5115 0.1357 1.3755 1.4855 1.1350 0.8436 1.9338
PC(17:0_20:4)-CH3 2.0613 0.0645 0.4985 0.5301 0.8898 1.0317 1.2831 0.8298 0.5290 2.2822
PC(17:0_20:4)-CH3_1 2.0411 0.1640 0.6601 0.7636 0.6974 0.9635 1.4488 0.7636 0.6280 1.8698
PC(17:0_20:4)+HCOO 2.0206 0.1566 0.4896 0.4969 0.9281 1.2752 1.3044 0.7600 0.4019 2.1667
PC(17:0_20:5)-CH3 1.6403 0.0913 0.6295 0.5030 0.9866 1.1621 1.3800 0.8050 0.7021 2.1003
PC(17:0_20:5)-CH3_1 1.8546 0.1016 0.7572 0.5824 0.7756 1.4316 1.1955 0.9809 0.6591 1.6615
PC(17:0_20:5)+H 1.7885 0.1494 0.8338 0.3360 1.2044 1.0796 1.1480 1.0796 0.4713 1.9094
PC(17:0_20:5)+HCOO 1.8340 0.1818 0.5740 0.5700 1.0120 1.0260 1.4420 0.8400 0.6560 1.8640
PC(17:0_22:5)-CH3 1.2112 0.2538 0.6619 0.5994 1.2894 0.6853 1.8755 0.2978 0.9065 2.2193
PC(17:0_22:5)-CH3_1 1.5021 0.3537 0.7768 0.3546 1.2443 1.3688 1.2177 1.1821 0.4800 1.5199
PC(17:0_22:5)+H 1.4892 0.6088 0.5944 0.2534 3.1352 0.7315 0.6088 0.6440 0.2887 1.6460
PC(17:0_22:5)+HCOO 0.9200 0.1704 0.6633 0.7133 1.2426 0.8428 1.0450 0.7519 0.5838 3.0668
PC(17:0_22:5)+HCOO_1 2.5889 0.0763 0.7067 0.4478 0.5398 1.6406 1.1740 1.0009 0.7413 1.0837
PC(17:0_22:6)-CH3 1.6913 0.2073 0.6699 0.5520 0.9536 1.0882 1.2809 0.8587 0.8496 1.8486
PC(17:0_22:6)-CH3_1 1.4789 0.1358 0.8994 0.6158 0.8821 1.2540 1.3318 0.8199 0.8008 1.7815
PC(17:0_22:6)+Na 1.6097 0.8847 0.5272 0.2003 2.1565 0.8417 0.4461 0.6574 0.1696 2.5068
PC(17:0)+H 0.3850 0.0436 0.6637 0.5775 0.4215 3.1760 0.3189 3.5178 0.4945 0.4016
PC(17:0)+H_1 0.1759 0.0298 5.5653 0.2158 0.4717 1.8403 0.1749 1.1234 0.1973 0.2056
PC(17:1_16:0)-CH3 1.5584 0.1799 0.8022 0.4011 1.0168 1.4256 1.2774 1.2110 0.4517 1.6759
PC(17:1_16:0)+HCOO 1.6485 0.1410 0.7547 0.2618 0.9414 1.4142 1.3625 1.1997 0.5680 1.7081
PC(17:1_18:2)-CH3 1.5575 0.0084 0.9108 0.5846 0.4492 1.7042 0.9401 1.4559 0.7866 1.6026
PC(17:1_18:2)+HCOO 1.4996 0.1244 0.5864 0.5641 0.8678 1.1933 1.4677 1.5762 0.4933 1.6272
PC(17:1_22:6)-CH3 1.4345 0.1064 0.4862 0.6307 0.1980 1.6856 1.7135 1.0605 1.2279 1.4568
PC(17:1_24:1)+HCOO 0.7743 0.0097 0.9613 0.7102 0.3081 2.1472 1.5972 1.7838 1.0918 0.6165
PC(18:0_16:0)-CH3 1.2480 0.0814 0.9522 0.4643 0.9559 1.6028 1.1401 1.3246 0.8108 1.4198
PC(18:0_16:0)-CH3_1 1.2695 0.3319 0.8165 0.3867 1.4023 1.4520 1.2612 1.1616 0.5742 1.3442
PC(18:0_16:0)+HCOO 1.2677 0.2716 0.8403 0.4201 1.2821 1.7385 1.2532 1.1264 0.6012 1.1988
PC(18:0_16:0)+Na 2.6867 0.3707 0.3895 0.0373 2.1869 0.6019 0.4332 0.5373 0.0489 2.7075
PC(18:0_17:0)-CH3 1.3293 0.2377 0.7363 0.6429 1.3709 0.9617 1.5370 1.1839 0.8267 1.1736
PC(18:0_17:0)-CH3_1 1.5509 0.1383 0.7414 0.6178 0.9175 1.6106 1.0482 1.3635 0.7593 1.2527
PC(18:0_17:0)+HCOO 1.5565 0.1037 0.7807 0.6352 1.1055 1.4401 1.0522 1.2510 0.7176 1.3577
PC(18:0_17:0)+HCOO_1 1.4594 0.1630 0.7017 0.5166 1.1968 1.4809 1.1150 1.2571 0.7146 1.3948
PC(18:0_18:1)-CH3 1.0133 0.2388 0.9259 0.5940 1.1606 1.5799 1.4002 1.2329 0.7912 1.0632
PC(18:0_18:1)-CH3_1 1.3585 0.2695 0.8556 0.4721 1.1559 1.4580 1.3007 1.1397 0.6802 1.3097
PC(18:0_18:1)+HCOO 1.3130 0.2549 0.8427 0.4994 1.1242 1.4760 1.3816 1.1413 0.7140 1.2529
PC(18:0_18:1)+Na 1.6896 0.5250 0.3721 0.0879 2.1120 1.1968 1.0258 0.5813 0.1267 2.2829
PC(18:0_18:3)-CH3 1.4544 0.1556 0.7928 0.4373 1.0895 1.5468 1.2014 1.4300 0.4134 1.4787
PC(18:0_18:3)+HCOO 1.4505 0.1344 0.8957 0.5038 1.1604 1.7126 0.9670 1.4505 0.7150 1.0102
PC(18:0_20:2)-CH3 1.0779 0.2183 0.6114 0.6525 1.0269 1.0874 1.8982 0.7946 1.0588 1.5739
PC(18:0_20:2)+HCOO 1.2887 0.1965 0.6730 0.7350 0.6205 1.1550 2.0523 0.8114 0.9403 1.5273
PC(18:0_20:3)-CH3 1.3056 0.2734 0.5257 0.5312 1.0708 1.3125 1.4783 0.9464 0.7944 1.7616
PC(18:0_20:3)+H 1.3483 0.1741 0.6439 0.3621 1.3612 1.2662 1.3137 1.1495 0.5186 1.8625
PC(18:0_20:3)+HCOO 1.4819 0.1539 0.7104 0.5180 1.0342 1.2229 1.5356 0.9731 0.8455 1.5245
PC(18:0_20:4)-CH3 1.7558 0.2255 0.6217 0.6301 1.1383 0.9157 1.3736 0.8317 0.7141 1.7936
PC(18:0_20:4)-CH3_1 2.1121 0.3183 0.6668 0.5291 1.3077 0.9722 1.2518 0.8044 0.3299 1.7077
PC(18:0_20:4)+HCOO 1.5295 0.2355 0.4584 0.6085 1.0981 0.9127 1.3357 0.9044 0.6043 2.3130
PC(18:0_20:4)+HCOO_1 1.7745 0.4201 0.6048 0.4418 1.4727 1.2071 1.0345 0.9935 0.4213 1.6296
PC(18:0_20:5)-CH3 1.4006 0.3917 0.5750 0.4236 1.5971 1.0418 1.5038 0.7421 0.5750 1.7495
PC(18:0_20:5)+HCOO 1.4504 0.3470 0.6018 0.4493 1.6530 0.9328 1.5667 0.7803 0.5737 1.6449
PC(18:0_20:5)+Na 0.9834 1.6297 0.2806 0.0823 3.6407 0.4685 0.5801 0.3563 0.1000 1.8783
PC(18:0_22:4)+H 1.4308 0.1853 0.7568 0.3706 1.1377 1.5256 1.3360 1.2239 0.4042 1.6290
PC(18:0_22:4)+H_1 1.4024 0.2017 0.5236 0.6373 1.6175 0.6697 1.4917 0.6596 0.9518 1.8448
PC(18:0_22:4)+H_2 1.2132 0.3357 0.5643 0.3790 1.8433 0.9781 1.3637 0.8455 0.4928 1.9844
PC(18:0_22:4)+HCOO 1.4753 0.3532 0.3706 0.8519 1.4303 0.8942 1.7631 0.5676 0.8996 1.3943
PC(18:0_22:5)+H 1.0948 0.6129 0.3903 0.3064 3.1954 0.4845 1.3122 0.4034 0.3614 1.8387
PC(18:0_22:5)+H_1 0.5849 0.7042 0.3612 1.2062 3.9708 0.5829 0.9259 0.4551 0.4981 0.7107
PC(18:0_22:5)+HCOO 1.2068 0.7205 0.4146 0.4851 2.5332 0.5305 1.5772 0.3859 0.5927 1.5534
PC(18:0_22:5)+HCOO_1 1.2717 0.4634 0.6487 0.5200 1.3541 1.2717 1.1121 1.0452 0.4443 1.8689
PC(18:0_22:5)+Na 0.6953 1.2359 0.1639 0.0789 4.9170 0.1784 0.5512 0.1187 0.0649 1.9959
PC(18:0_22:6)-CH3 1.2485 0.4426 0.7753 0.4640 1.4683 1.2332 1.4286 0.9280 0.6471 1.3645
PC(18:0_22:6)+HCOO 1.2434 0.4145 0.7661 0.4722 1.3941 1.3062 1.4444 0.9332 0.6694 1.3564
PC(18:0_22:6)+Na 0.9301 1.5432 0.3745 0.0676 3.3824 0.7218 0.5225 0.4983 0.0812 1.8784
PC(18:0e_16:0)+HCOO 0.6960 0.0505 1.2954 0.8867 0.3775 1.4611 1.4790 2.0689 1.0627 0.6223
PC(18:0e_18:2)+HCOO 1.0698 0.1555 0.8092 0.6509 0.6787 1.4280 1.5827 1.7612 0.8639 1.0003
PC(18:0e_20:4)+HCOO 1.3630 0.1983 0.9222 0.9222 0.8592 1.2895 1.4772 1.2814 0.6423 1.0447
PC(18:0e_22:5)+HCOO 0.9512 0.3927 0.8042 0.7183 1.3930 0.7912 2.3616 0.8423 0.9218 0.8238
PC(18:1_18:1)-CH3 1.4469 0.2526 0.7556 0.4388 1.2072 1.3634 1.2479 1.1601 0.5586 1.5689
PC(18:1_18:1)+HCOO 1.8577 0.2852 0.9420 0.4207 1.3550 0.7223 1.3441 1.4862 0.7453 0.8414
PC(18:1_18:2)-CH3 1.4450 0.2258 0.7280 0.3379 1.1455 1.4395 1.1730 1.2774 0.4725 1.7554
PC(18:1_18:2)-CH3_1 2.4301 0.6780 0.4034 0.9575 0.5371 0.7971 0.7533 0.5857 2.0170 0.8408
PC(18:1_18:2)+HCOO 1.4851 0.2457 0.7317 0.3389 1.1098 1.5526 1.1543 1.3015 0.4739 1.6066
PC(18:1_18:3)+Na 1.5829 0.1105 0.9358 0.5694 0.8920 1.3838 1.1946 1.2344 0.6730 1.4236
PC(18:1_20:3)-CH3 1.5695 0.2256 0.6124 0.4610 1.0973 1.1407 1.4434 1.0146 0.5998 1.8358
PC(18:1_20:4)-CH3 1.7226 0.1545 0.7255 0.5020 0.9617 1.3486 1.1517 1.2304 0.5493 1.6537
PC(18:1_20:4)+HCOO 1.6592 0.1702 0.6943 0.5021 0.9100 1.3964 1.2003 1.2670 0.5491 1.6514
PC(18:1_20:5)-CH3 1.5532 0.1553 0.8408 0.5138 0.9343 1.5766 1.0919 1.3547 0.5956 1.3839
PC(18:1_20:5)+HCOO 1.5504 0.1375 0.8539 0.5160 0.8849 1.5917 1.1145 1.3853 0.6269 1.3389
PC(18:1_20:5)+Na 0.0912 0.7028 0.3162 0.0593 3.7571 0.7163 0.4122 0.7636 0.0730 3.1084
PC(18:1_22:1)-CH3 1.0033 0.0687 0.9765 0.5939 0.8628 1.8193 1.2775 1.3444 0.8762 1.1772
PC(18:1_22:1)+HCOO 0.9380 0.1349 0.9325 0.6380 0.7935 1.9414 1.2597 1.2870 0.9571 1.1179
PC(18:1_22:5)-CH3 1.7244 0.1909 0.7243 0.4915 0.9542 1.2876 1.0634 1.3910 0.7243 1.4485
PC(18:1_22:5)-CH3_1 3.5656 0.0115 0.0780 0.4520 2.4131 0.0770 1.6945 1.2335 0.0336 0.4413
PC(18:1_22:5)-CH3_2 1.4835 0.3285 0.5829 0.4548 1.5376 0.7742 1.8047 0.6317 0.6389 1.7632
PC(18:1_22:5)+HCOO 1.3543 0.1737 0.8368 0.6742 0.7600 1.4519 1.3869 1.1799 0.8250 1.3573
PC(18:1_22:5)+HCOO_1 0.7441 0.0852 0.4727 1.5052 0.6931 1.2614 1.9094 1.5621 0.8674 0.8994
PC(18:1_22:5)+HCOO_2 1.2974 0.3503 0.5976 0.4823 1.6103 0.9082 1.8316 0.6197 0.6998 1.6027
PC(18:1_22:6)-CH3 1.2896 0.2704 0.7717 0.4832 1.1402 1.3348 1.4739 1.0115 0.6813 1.5434
PC(18:1_22:6)+HCOO 1.2942 0.2828 0.8010 0.5222 1.0759 1.3679 1.5389 0.9772 0.6405 1.4994
PC(18:1_22:6)+Na 1.0141 1.6473 0.3552 0.0443 2.2900 0.6951 0.6380 0.5808 0.0218 2.7137
PC(18:1_23:0)+HCOO 1.0333 0.0962 0.8912 0.7297 0.6303 1.8470 1.4272 1.1430 1.1624 1.0397
PC(18:1_24:0)-CH3 0.7305 0.0834 1.1081 0.6211 0.6423 2.1068 1.6234 1.2528 1.1187 0.7129
PC(18:1_24:0)+HCOO 0.7117 0.1078 1.0410 0.5900 0.6914 2.1539 1.5764 1.1799 1.2096 0.7382
PC(18:1_24:1)-CH3 0.8730 0.0846 1.1781 0.5645 0.5259 2.0792 1.3148 1.5462 0.9747 0.8590
PC(18:1_24:1)+HCOO 0.9112 0.0845 1.0677 0.5450 0.5241 1.8867 1.3263 1.5652 1.0272 1.0621
PC(18:1_24:2)-CH3 0.9669 0.0984 0.9114 0.5617 0.7212 1.5751 1.5058 1.2086 0.9055 1.5454
PC(18:1_24:2)+HCOO 0.8945 0.1292 1.0288 0.5763 0.6894 1.8738 1.5131 1.4000 1.0111 0.8838
PC(18:1D7_15:0)-CH3 1.0279 1.7529 0.3983 0.0735 2.6784 0.7965 0.5848 0.5567 0.0977 2.0333
PC(18:1D7_15:0)+HCOO 1.1379 1.6997 0.4343 0.1001 2.4919 0.8786 0.6583 0.6525 0.1246 1.8221
PC(18:1D7_15:0)+Na 0.5330 1.3070 0.6572 0.2705 2.0920 1.0296 0.9310 0.8908 0.3027 1.9861
PC(18:1e_18:1)+HCOO 0.5555 0.0322 1.3409 0.6065 0.5067 2.0011 1.1965 2.0836 1.0934 0.5835
PC(18:1e_20:5)+HCOO 0.5773 0.1166 1.4180 0.6386 0.3774 2.2807 0.7288 2.5881 0.8290 0.4455
PC(18:2_18:2)-CH3 1.2979 0.1515 0.8532 0.4199 1.1738 1.6758 1.1719 1.4162 0.5115 1.3284
PC(18:2_18:2)+HCOO 1.3953 0.1437 0.8638 0.4236 1.0299 1.6445 1.1462 1.4369 0.5540 1.3621
PC(18:2_18:2)+Na 1.4913 0.5477 0.1601 0.0043 4.6139 0.9496 0.2843 0.7412 0.0586 1.1490
PC(18:2_20:4)-CH3 1.5289 0.0391 0.8247 0.6146 0.5498 1.4053 1.6277 1.2756 0.9915 1.1428
PC(18:2_20:4)+HCOO 1.4998 0.0607 0.7860 0.4355 0.4543 1.3715 1.8027 1.3369 1.1422 1.1105
PC(18:2_20:4)+Na 0.4725 0.2876 1.0320 0.0193 3.1208 0.0263 0.0597 1.1646 0.7046 3.1126
PC(18:2_21:0)+HCOO 1.4117 0.2011 0.2659 0.7380 0.5972 1.3728 1.7943 0.6449 1.0106 1.9636
PC(18:2_22:6)-CH3 1.2145 0.2692 0.7742 0.6224 1.1790 1.1740 1.5282 0.8653 0.9463 1.4270
PC(18:2_22:6)+HCOO 1.2648 0.2449 0.7970 0.6424 1.0159 1.2186 1.6141 0.8874 1.0118 1.3030
PC(18:2_22:6)+Na 1.5095 0.3710 0.4648 0.1224 2.3239 0.8272 0.8507 0.6652 0.1149 2.7504
PC(18:2e_18:0)+H 1.1291 0.2018 0.6994 0.8751 1.4614 1.0090 0.9569 0.9221 0.5532 2.1921
PC(18:3_18:2)-CH3 1.5286 0.0822 0.6716 0.5263 0.7180 1.5575 1.3317 1.4359 0.7701 1.3780
PC(18:3_18:2)+HCOO 1.4825 0.0909 0.6452 0.5582 0.7622 1.5935 1.3054 1.4855 0.7082 1.3684
PC(18:3_18:2)+Na 1.7836 0.0925 0.4976 0.0976 1.4957 1.1826 0.6933 1.1909 0.3215 2.6447
PC(18:3_18:3)-CH3 1.5253 0.0772 0.7221 0.4357 0.6320 1.6876 1.2900 1.5253 0.6685 1.4361
PC(18:3_18:3)+HCOO 1.5402 0.0702 0.5931 0.4050 0.5421 1.7793 1.4222 1.5784 0.5963 1.4732
PC(18:3_18:3)+Na 1.4552 0.0113 0.9849 0.7876 0.4973 1.6757 1.4919 1.2404 0.8882 0.9675
PC(18:3_18:3)+Na_1 1.5723 0.0461 0.6377 0.1723 0.4777 2.0616 1.4053 1.9827 0.1670 1.4772
PC(18:3_20:4)-CH3 1.6445 0.0173 0.6116 0.5009 0.6072 1.5118 1.1137 1.4195 0.9002 1.6734
PC(18:3_20:4)+HCOO 1.5732 0.0458 0.7038 0.4735 0.5330 1.5758 1.3429 1.5447 0.9600 1.2472
PC(18:3_20:4)+Na 1.8688 0.0822 0.7690 0.2809 0.4622 1.4763 1.3588 1.6915 0.4044 1.6058
PC(18:3_20:5)-CH3 1.5426 0.0224 0.8250 0.7217 0.4504 1.5426 1.4876 1.4325 0.9173 1.0578
PC(18:3_20:5)+H 1.7963 0.0954 0.4902 0.1073 1.5166 1.1620 0.7150 1.1994 0.3056 2.6122
PC(18:3_20:5)+HCOO 1.4012 0.0499 0.7953 0.7637 0.5075 1.4707 1.3949 1.5212 0.9973 1.0983
PC(18:3_20:5)+Na 1.4743 0.0254 0.8743 0.7329 0.3531 1.6286 1.4400 1.6714 0.9000 0.9000
PC(18:3_22:5)-CH3 1.7355 0.0029 0.8377 0.6786 0.5868 1.1348 1.5464 1.4352 0.9212 1.1209
PC(18:3_22:5)+HCOO 1.7208 0.0219 0.6507 0.6763 0.5650 1.2927 1.3869 1.4254 0.8775 1.3826
PC(18:3_22:6)-CH3 1.3211 0.0775 0.7393 0.6796 0.6884 1.3370 1.8225 1.1142 1.0983 1.1221
PC(18:3_22:6)+HCOO 1.3574 0.0788 0.7632 0.6975 0.6631 1.3230 1.6358 1.1792 1.1666 1.1354
PC(18:3_22:6)+Na 1.8126 0.0551 0.7793 0.3480 0.6512 1.5586 1.5009 1.4753 0.3587 1.4604
PC(18:3e_16:0)+H 1.9868 0.2008 0.2725 0.3952 0.5493 0.1216 2.9856 0.5504 0.2345 2.7033
PC(18:3e_18:3)+H 2.6689 0.0451 0.2845 0.5247 0.4288 0.3314 2.3599 0.4864 0.4571 2.4132
PC(18:4_14:0)-CH3 0.9240 NA 1.2027 0.7764 0.5372 2.0972 1.5655 0.3162 0.8287 0.7521
PC(18:4_15:0)-CH3 2.1588 NA 0.7136 0.7767 0.2783 0.6452 0.9557 0.8560 0.8513 1.7644
PC(18:4_16:0)-CH3 1.3112 0.0950 0.7340 0.5710 0.7242 1.6053 1.5930 1.4092 0.6826 1.2744
PC(18:4_16:0)+HCOO 1.2398 0.0865 0.7808 0.5592 0.8125 1.6039 1.4034 1.6039 0.6700 1.2398
PC(18:4_16:0)+Na 2.2641 0.1863 0.2506 0.0571 1.8965 0.6291 0.9691 0.3651 0.0571 3.3251
PC(18:4_16:1)-CH3 1.1056 0.0175 1.1056 0.6095 0.6796 1.9920 1.3844 1.4940 0.5717 1.0401
PC(18:4_16:1)+HCOO 1.0969 0.0308 1.0705 0.5374 0.7269 2.1013 0.9868 1.8722 0.7048 0.8722
PC(18:4_16:1)+Na 1.1039 0.0096 1.1959 0.0238 0.6143 2.1365 1.3235 2.4333 0.1119 1.0475
PC(18:4_17:0)-CH3 1.7681 0.0975 0.1972 0.4049 0.0460 0.6365 1.1132 1.0074 0.4835 4.2456
PC(18:4_17:0)+HCOO 4.0164 0.1373 0.0361 0.3046 0.7315 0.6476 1.7976 0.1929 0.9477 1.1884
PC(18:4_17:0)+HCOO_1 0.8962 0.0565 0.7588 0.3250 0.8392 2.2614 0.8912 1.6115 0.5511 1.8091
PC(18:4_18:1)-CH3 0.8098 0.0880 1.2474 0.2851 1.3255 2.1244 0.7245 2.2152 0.4194 0.7608
PC(18:4_18:1)+HCOO 1.4676 0.0552 1.0139 0.4924 1.2435 1.7252 0.6498 1.5908 0.2941 1.4676
PC(18:4_18:1)+Na 0.7265 0.2144 0.8454 0.0717 3.5531 1.4825 0.2806 1.3600 0.0691 1.3967
PC(18:4_18:2)-CH3 1.5496 0.1073 0.7615 0.7682 0.7731 1.6987 1.2181 1.6159 0.9447 0.5630
PC(18:4_18:2)+HCOO 1.4925 0.0028 0.8893 0.5980 0.2821 1.6523 1.4048 1.3069 0.8506 1.5208
PC(18:4_18:2)+Na 1.7697 0.0529 0.6961 0.2427 0.4551 1.8539 0.7736 1.9719 0.2798 1.9045
PC(18:4_18:3)-CH3 1.1749 0.0640 0.9091 0.6459 0.6220 1.8102 1.1350 1.7118 0.8745 1.0526
PC(18:4_18:3)+HCOO 1.1996 0.0670 0.8835 0.6588 0.6779 1.7644 1.0574 1.6756 0.9330 1.0828
PC(18:4_18:3)+Na 1.0353 0.0257 0.9997 0.6535 0.9358 1.4490 0.8932 1.6248 1.0424 1.3407
PC(18:4_18:4)-CH3 0.9842 NA 1.0050 0.8016 0.5205 2.0892 0.8633 1.3964 0.6680 0.6717
PC(18:4_18:4)+Na 0.7502 NA 0.9126 0.9708 0.5051 1.4950 0.7409 1.8607 1.1067 0.6579
PC(18:4_20:5)-CH3 1.2364 NA 0.7949 0.9022 0.2518 1.6722 1.0899 1.4787 0.9079 0.6659
PC(18:4_20:5)+Na 1.1888 0.0208 0.8619 1.1988 0.4214 1.3672 1.0601 1.5851 1.3474 0.9486
PC(19:0_18:1)-CH3 1.5119 0.1785 0.7701 0.7257 1.0926 1.2862 1.3305 0.7781 0.8951 1.4313
PC(19:0_18:1)+HCOO 1.5124 0.1701 0.7953 0.7226 0.9423 0.9841 1.4743 1.0839 0.9369 1.3781
PC(19:0_22:6)+H 1.5504 0.4539 0.6710 0.2782 1.7485 1.1800 0.7356 0.7132 0.2661 2.4031
PC(19:0_22:6)+HCOO 1.3441 0.4172 0.7414 0.6499 1.5243 0.9076 1.7113 0.5356 0.9146 1.2541
PC(19:1_18:1)-CH3 1.5040 0.2204 1.5278 0.4167 1.0165 1.0165 1.1889 0.9511 0.6717 1.4862
PC(19:1_18:1)+HCOO 1.6175 0.1622 0.7558 0.4481 0.8617 1.3245 1.4624 1.0980 0.7410 1.5288
PC(19:2e)+H 0.3336 NA 3.6751 0.0407 0.2054 2.3593 0.1639 2.0077 0.0714 0.1427
PC(19:2)+H 0.0458 0.0527 3.3098 0.3430 0.1098 2.5423 0.3310 2.5184 0.5061 0.2412
PC(19:2)+H_1 1.3447 0.2562 0.6320 2.4499 0.8233 0.2034 0.1343 1.5396 1.6453 0.9712
PC(19:3e)+H 0.3061 NA 0.9356 1.6417 0.1379 0.7326 1.5181 1.5270 0.0738 2.1272
PC(19:3e)+H_1 0.0546 NA 0.6321 0.7348 0.1602 1.2704 0.0481 0.4225 5.4677 0.2097
PC(19:5e)+H 0.6318 0.2253 2.9222 0.7351 0.6874 1.2333 1.2941 1.0389 1.0207 0.2113
PC(20:0_16:0)-CH3 1.3639 0.3013 0.6756 0.5115 1.3828 1.4018 1.3386 0.9977 0.7577 1.2692
PC(20:0_16:0)+HCOO 1.3508 0.2621 0.6553 0.4888 1.3616 1.3992 1.2649 1.1038 0.7493 1.3643
PC(20:0_22:6)+HCOO 1.1651 0.2562 0.6173 0.6753 0.8115 1.1999 1.8722 0.7767 1.0810 1.5447
PC(20:1_18:1)-CH3 1.3505 0.2034 0.7176 0.5613 1.0473 1.4805 1.4692 1.2206 0.5048 1.4447
PC(20:1_18:1)+HCOO 1.4921 0.1176 0.7627 0.6276 0.9918 1.4921 1.5185 0.7505 0.8338 1.4131
PC(20:1_18:2)-CH3 1.6245 0.2613 0.7411 0.5102 1.0499 1.1412 1.3774 0.9425 0.5451 1.8071
PC(20:1_18:2)+HCOO 1.6237 0.2765 0.6648 0.5059 1.0519 1.2472 1.3884 0.9895 0.6165 1.6355
PC(20:1_22:5)+HCOO 1.1286 0.4366 0.6038 0.6093 1.4616 1.0669 1.7391 0.7277 0.7832 1.4431
PC(20:1_22:6)-CH3 1.1729 0.3653 0.6996 0.6200 1.0556 1.3782 1.5918 0.8797 0.9300 1.3070
PC(20:1_22:6)+HCOO 1.1696 0.3797 0.6843 0.6216 1.0456 1.4039 1.5769 0.8435 0.9553 1.3197
PC(20:2)+H 1.9551 0.0424 0.2444 1.3174 0.0590 0.0850 2.0905 0.0403 1.6393 2.5266
PC(20:3_22:6)-CH3 1.2442 0.1401 0.7098 0.6713 0.7183 1.0091 1.8087 0.9364 1.2314 1.5307
PC(20:4_22:6)-CH3 1.3741 0.0631 0.8704 0.6495 0.6318 1.3255 1.6392 1.1664 1.2902 0.9897
PC(20:4_22:6)-CH3_1 1.9853 0.3765 0.6363 0.7926 1.3260 1.0889 1.0519 0.5756 0.5074 1.6593
PC(20:4_22:6)+HCOO 1.4357 0.0919 0.7965 0.5970 0.7284 1.3571 1.4267 1.3315 1.1773 1.0579
PC(20:4_22:6)+Na 1.7624 0.0671 0.8733 0.1717 0.8428 1.5591 1.2992 1.3557 0.2949 1.7737
PC(20:5_18:2)-CH3 1.5988 0.1774 0.7757 0.6745 1.0192 1.3240 1.1879 1.1029 0.7657 1.3740
PC(20:5_18:2)+HCOO 1.5545 0.1514 0.8233 0.6903 0.8795 1.4062 1.1915 1.2119 0.8130 1.2784
PC(20:5_18:2)+Na 1.9942 0.1361 0.7390 0.2090 1.2906 1.2340 1.0077 1.0431 0.2072 2.1392
PC(20:5_20:5)-CH3 1.2242 0.0620 0.8495 1.0056 0.4877 1.3741 1.5615 1.2117 1.1805 1.0431
PC(20:5_20:5)+Na 0.9947 0.0525 0.8917 1.1919 0.4660 1.2255 1.3913 1.1941 1.6534 0.9387
PC(20:5_22:5)-CH3 1.6507 0.4237 0.6824 0.3868 1.2910 1.1712 1.4570 1.1066 0.4795 1.3510
PC(20:5_22:6)-CH3 1.4417 0.1967 0.9326 0.6961 0.9596 1.2479 1.4191 1.0677 0.8312 1.2074
PC(20:5_22:6)-CH3_1 1.2992 0.2076 0.8764 0.5427 0.8764 1.5298 1.4376 1.3991 0.6857 1.1454
PC(20:5_22:6)+Na 1.7232 0.1141 1.0254 0.3477 0.8313 1.4744 1.4198 1.3591 0.2973 1.4077
PC(21:2)+H 0.3352 NA 0.1509 0.6193 0.2476 1.5291 0.4943 0.4884 3.3768 1.7585
PC(21:3)+H 0.4549 0.0552 2.4644 1.1945 0.3020 1.8644 0.7173 1.3955 0.9629 0.5889
PC(21:5e)+H 0.4269 0.0609 2.7991 1.1903 0.2725 1.1717 0.6882 1.2554 1.1903 0.9447
PC(22:0_18:2)-CH3 0.9840 0.1378 0.9985 0.5103 1.0816 1.6115 1.4029 1.3002 0.8247 1.1485
PC(22:0_18:2)+HCOO 0.8431 0.0951 0.8989 0.6923 0.9994 1.8425 1.5298 1.0999 0.9324 1.0664
PC(22:0_18:3)+HCOO 0.9887 0.0937 0.8145 0.6404 0.1892 1.8464 1.9633 1.1803 1.3089 0.9747
PC(22:1_18:2)-CH3 0.9802 0.1581 0.6639 0.6383 0.8517 1.4169 1.2779 1.3386 0.7853 1.8891
PC(22:2)+H 1.4016 0.0645 0.3361 0.8931 0.6512 1.8606 0.3523 0.7938 1.3148 2.3319
PC(22:2)+H_1 0.8393 0.1213 2.2654 0.5664 0.6443 0.7780 0.8375 2.1540 0.4011 1.3927
PC(22:3)+H 0.6717 0.0770 0.1779 0.8285 0.2776 0.4520 1.6570 0.1032 1.1614 4.5938
PC(22:4_20:4)+H 1.4695 0.2586 0.5655 0.3553 1.2374 0.7057 1.8803 0.5462 0.4196 2.5619
PC(22:5_18:2)-CH3 1.6113 0.1666 0.7100 0.4936 0.9422 1.2904 1.3791 1.2016 0.6827 1.5225
PC(22:5_18:2)+HCOO 1.5281 0.1912 0.7199 0.6758 1.0620 1.2302 1.3406 1.0730 0.6730 1.5061
PC(22:5_22:6)+Na 1.3238 0.5170 0.5904 0.1763 3.0858 0.5704 1.3759 0.4675 0.1964 1.6965
PC(22:6_22:6)+Na 1.5106 0.2392 0.9258 0.2503 1.2979 1.5083 1.2669 1.2115 0.2168 1.5726
PC(24:0_18:2)-CH3 0.6670 0.0784 1.0308 0.5972 0.7723 1.8633 1.8155 1.3378 1.1228 0.7150
PC(24:0_18:2)+HCOO 0.4268 0.1281 1.0332 0.5915 0.7263 1.0407 1.6884 2.8414 1.0894 0.4343
PC(24:0_18:3)-CH3 0.6838 NA 0.7761 0.7091 0.3379 2.0070 1.9218 1.0122 1.0022 0.5499
PC(24:0_18:3)+HCOO 0.8622 0.0194 0.8231 0.7320 0.3093 2.0173 1.7176 1.2334 1.4525 0.8333
PC(24:0_20:5)+HCOO 0.9259 0.0861 0.7101 0.8511 1.2995 1.3357 1.8786 0.7979 1.2673 0.8478
PC(24:1_22:6)-CH3 1.0127 0.1930 0.6325 0.9791 0.5218 1.3746 2.1326 0.8046 1.4597 0.8893
PC(24:5e)+H 0.9916 0.0317 0.0425 1.4323 0.1427 1.0467 1.3773 0.6198 1.6527 2.6627
PC(25:0_18:1)-CH3 0.6414 NA 1.0676 0.7384 0.4250 1.9283 1.4012 1.3211 1.1432 0.3336
PC(25:0_18:1)+HCOO 0.7188 0.0776 1.0400 0.8688 0.5652 2.0064 1.5738 1.2057 1.3437 0.6001
PC(25:0_18:2)+HCOO 0.7324 NA 0.4131 0.6849 0.4367 0.7632 1.4593 0.6175 3.1267 0.7662
PC(25:1_18:1)+HCOO 0.7355 0.0599 1.2131 0.9948 0.2439 2.2816 1.2882 1.4597 1.0558 0.6674
PC(26:0_16:0)-CH3 0.1813 NA 0.5229 0.5874 0.5535 2.3202 2.0373 1.2170 1.3559 0.2244
PC(26:0_16:0)+HCOO 1.1396 0.1158 1.1317 0.8337 1.1716 1.2730 1.6163 0.8701 1.1798 0.6685
PC(26:0_18:2)-CH3 0.3916 NA 1.1089 0.5434 0.5268 2.0623 1.8299 1.1392 1.2439 0.1541
PC(26:0_18:2)+HCOO 0.4752 0.0872 0.8953 0.7237 0.9263 1.6206 2.4015 1.1959 1.1354 0.5388
PC(26:0_18:3)+H 0.7827 0.0476 1.1812 0.6519 0.4169 1.9210 1.5940 1.5061 1.1730 0.7255
PC(26:0_18:3)+HCOO 0.2994 NA 0.9095 0.9243 0.1626 1.7792 1.7867 1.2836 1.6182 0.2365
PC(26:1_18:1)-CH3 0.8080 0.0396 0.9839 0.7326 0.4088 2.1301 1.4088 1.5102 1.2961 0.6821
PC(26:1_18:1)+HCOO 0.9989 0.0455 1.1192 0.7060 0.3872 2.0338 1.3639 1.3077 1.2877 0.7501
PC(26:1_18:3)+HCOO 1.2120 0.0233 1.4324 0.4973 0.3737 1.4788 0.8800 1.2642 1.7107 1.1277
PC(26:1_9:0)+H 2.1545 0.0215 1.2370 0.2350 0.9718 0.7337 0.6720 0.8573 0.6614 2.4558
PC(27:0_18:1)+HCOO 0.4591 NA 0.8777 0.7514 0.1721 1.9505 1.7723 1.1854 1.4229 0.4086
PC(28:0_18:3)+H 0.8319 0.0407 1.1070 0.6717 0.5686 1.7192 1.4927 1.7611 1.0399 0.7673
PC(28:0)+H 1.4431 0.3109 0.5465 0.2743 2.2390 0.6579 1.2574 0.5836 0.3687 2.3185
PC(28:1_16:0)-CH3 0.5983 0.0170 1.0016 0.6749 0.5369 2.1998 1.7692 1.4229 1.2450 0.5343
PC(28:1_16:0)+HCOO 0.5788 0.0686 0.9500 0.6626 0.5588 2.3032 1.6206 1.5049 1.2534 0.4990
PC(28:1_18:1)-CH3 0.6129 NA 0.9448 0.5868 0.1313 2.1233 1.4269 1.6631 1.2029 0.3079
PC(28:1_18:1)+HCOO 0.6426 0.0339 0.9144 0.7756 0.3390 1.7907 1.9496 1.6529 1.3986 0.5026
PC(29:0)+H 1.5971 0.1229 0.9081 0.4319 1.0962 1.0112 1.2947 0.9006 0.4356 2.2019
PC(29:0)+H_1 1.5258 0.4282 0.3692 0.1979 2.9726 0.4241 0.9479 0.3821 0.2287 2.5236
PC(30:0e)+H 0.9488 0.4547 1.0194 0.3886 2.5233 0.6258 1.5594 0.7217 0.4714 1.2869
PC(30:0)+H 1.2444 0.5575 0.6467 0.2342 2.4086 0.9300 1.1262 0.7739 0.3078 1.7707
PC(30:1_16:0)-CH3 0.4904 NA 0.4519 0.6536 0.4538 1.8926 1.8146 1.7395 1.0458 0.4576
PC(30:1_16:0)+HCOO 0.6321 NA 0.7144 0.5929 0.4857 1.5675 1.7031 1.5028 1.2631 0.5382
PC(30:1)+H 0.4878 1.5497 0.9837 0.3396 2.5931 0.8561 0.9158 0.9755 0.4260 0.8726
PC(30:1)+H_1 1.3316 0.1108 0.9373 0.3059 1.5996 1.2291 1.1744 1.0551 0.3901 1.8661
PC(30:1)+H_2 1.3310 0.2796 0.7116 0.4208 2.4818 0.8039 1.4759 0.5842 0.4046 1.5067
PC(30:2)+H 2.2237 0.1395 0.3821 0.3605 1.6451 0.0870 1.6278 0.2785 0.4706 2.7850
PC(30:2)+H_1 0.1004 0.1943 1.4687 0.1680 0.7781 3.7062 0.5133 1.5216 0.0923 1.4572
PC(30:4D31)+CH3COO 1.2144 0.1406 1.0356 0.5961 1.2274 1.1902 1.5710 0.8669 0.7047 1.4532
PC(30:4D31)+HCOO 1.1754 0.1716 0.9743 0.5516 1.0219 1.5672 1.7012 1.0517 0.7815 1.0036
PC(31:0e)+H 1.6880 0.2726 0.9200 0.4862 1.5699 0.8280 0.9369 0.9622 0.3275 2.0088
PC(31:0)+H 1.7905 0.3378 0.5647 0.2198 1.6988 0.8952 0.8952 0.7529 0.2630 2.5820
PC(31:0)+H_1 1.9582 0.3205 0.8654 0.3036 1.5768 0.9901 1.1074 1.1588 0.3183 1.4008
PC(31:0)+H_2 2.3543 0.1896 0.4690 0.1872 1.4041 0.4534 0.7658 1.0353 0.3096 2.8317
PC(31:1)+H 1.9340 0.2010 0.3400 0.3037 1.6620 0.5908 1.1816 1.0048 0.1381 2.6441
PC(32:0e)+H 1.2795 0.1265 1.2155 0.7322 0.9667 1.3861 1.2724 1.3364 0.5260 1.1587
PC(32:0)+H 1.4632 0.0096 0.9755 0.3426 0.0516 1.4449 1.3718 1.3047 0.6158 2.4204
PC(32:0)+H_1 0.5098 0.3280 0.0573 0.1723 0.1214 0.7579 6.6766 0.2923 0.2274 0.8571
PC(32:0)+H_2 1.4092 0.5840 0.7234 0.2438 1.6128 1.1467 1.0716 0.9645 0.3365 1.9075
PC(32:1e)+H 0.9356 0.1976 1.1991 0.5471 1.3062 1.1544 1.2013 1.2861 0.4756 1.6970
PC(32:1e)+H_1 2.1918 0.2868 0.3545 0.3783 0.7252 0.2793 2.1485 0.3106 0.2457 3.0793
PC(32:1e)+H_2 1.2747 0.1130 1.4045 0.6503 1.0763 1.8014 1.1373 0.9465 0.4053 1.1907
PC(32:1)+H 1.4955 0.1186 0.6457 0.4711 1.2325 0.8119 1.7352 0.7277 0.5952 2.1664
PC(32:1)+H_1 1.3209 0.2633 0.8430 0.2633 1.6511 1.2658 1.1282 1.1374 0.3568 1.7703
PC(32:1)+H_2 1.0525 0.5419 0.9808 0.1765 1.9034 1.3794 0.7927 1.0659 0.2929 1.8139
PC(32:2)+H 1.1317 0.1518 1.0408 0.4655 1.2944 1.4837 1.1657 1.2831 0.4542 1.5291
PC(32:2)+H_1 1.1885 0.5218 0.9662 0.3498 1.9808 1.0870 0.9952 0.9227 0.3792 1.6088
PC(32:2)+Na 1.3643 0.2322 0.6571 0.1449 2.1853 1.0942 0.9014 1.0942 0.1867 2.1398
PC(32:3e)+H 2.2321 0.1786 0.2057 0.5629 0.0935 0.2116 2.8726 0.9608 0.8249 1.8575
PC(32:3)+H 1.2895 0.0640 1.5036 0.3224 0.8390 1.8746 0.9958 1.6825 0.5012 0.9274
PC(32:3)+H_1 1.5082 0.0645 0.8352 0.4223 0.9278 1.4354 1.3314 1.4458 0.4795 1.5498
PC(32:4D7)+HCOO 1.0622 2.6545 0.1870 0.1445 2.8070 0.4620 0.3938 0.4202 0.0991 1.7697
PC(32:4)+H 0.2096 0.0375 0.4102 1.2052 1.3645 2.1179 0.7184 2.3870 1.4041 0.1456
PC(32:4)+H_1 1.1242 0.0551 0.7080 0.7297 0.9621 0.5891 1.4647 2.1944 0.9891 1.1837
PC(32:4)+H_2 0.5859 0.0286 5.9595 0.1955 0.1861 0.3409 0.7727 0.8990 0.2439 0.7879
PC(32:4)+H_3 0.7542 0.0393 2.0844 0.3634 0.8373 2.1319 0.8076 1.8528 0.4163 0.7126
PC(32:6e)+H 0.8154 0.1185 1.1881 0.6444 0.7584 1.9860 1.3985 1.2012 0.7409 1.1486
PC(32:6)+H 0.0082 NA 2.4311 0.0831 0.4207 2.3593 0.0264 2.5030 0.1681 NA
PC(33:0e)+H 1.5645 0.0682 0.9616 1.1181 0.7741 1.1059 1.2624 1.1599 0.6582 1.3271
PC(33:0e)+H_1 1.3860 0.0728 1.2540 0.9523 0.7514 1.2163 1.1314 1.3294 0.6147 1.2917
PC(33:0)+H 0.1104 0.0523 1.2350 0.7149 0.3974 1.8598 1.9978 1.5837 0.9444 1.1042
PC(33:0)+H_1 1.8168 0.1629 0.9037 0.3232 0.8096 1.4340 0.8158 1.4183 0.4456 1.8702
PC(33:0)+H_2 1.7502 0.2066 0.6385 0.2889 1.3357 1.2059 1.2121 0.9379 0.3894 2.0349
PC(33:0)+H_3 1.6418 0.1915 0.7455 0.3202 1.1945 1.2301 1.0624 1.1996 0.4151 1.9993
PC(33:1D3)+H 0.3636 0.0496 0.3080 0.7961 0.2777 5.7395 0.1269 1.7841 0.1151 0.4393
PC(33:1D3)+H_1 1.6316 0.2054 0.6342 0.3171 1.3926 1.2042 1.2088 1.0663 0.3681 1.9717
PC(33:1D7)+H 0.8761 2.0264 0.3695 0.0598 2.9998 0.6834 0.4549 0.5086 0.0685 1.9529
PC(33:1D7)+H_1 1.0782 1.1931 0.5590 0.0304 1.1588 1.2704 0.4037 1.4472 0.0643 2.7949
PC(33:1D7)+H_2 0.4951 1.6866 0.5160 0.0590 0.2632 0.8176 0.4481 0.7171 0.0828 4.9146
PC(33:1)+H 1.8015 0.1499 0.7401 0.2283 1.3795 0.8094 0.7905 0.9417 0.3905 2.7684
PC(33:1)+H_1 1.4826 0.2220 0.8064 0.2794 1.3454 1.2855 1.0626 1.1055 0.3625 2.0482
PC(33:1)+H_2 1.1561 0.1324 1.6755 0.3100 1.0220 1.2063 0.8461 1.2817 0.3594 2.0106
PC(33:2)+H 1.2695 0.0547 1.3825 0.2626 0.9056 1.7946 1.5869 0.9754 0.3473 1.4208
PC(33:2)+H_1 2.0781 0.2915 0.4977 0.1972 2.2167 0.6767 0.6447 0.1044 0.2131 3.0799
PC(33:2)+H_2 1.4519 1.0263 0.6882 0.2128 1.6541 1.2708 0.6641 1.1772 0.2249 1.6299
PC(33:3)+H 0.4198 0.0262 1.5190 0.3130 0.1694 3.1208 0.7982 2.8446 0.3949 0.3940
PC(33:3)+H_1 1.6462 0.3005 0.6048 1.2871 0.5254 1.2285 0.9601 1.1000 1.5063 0.8411
PC(33:3)+H_2 1.7776 0.0614 0.1001 0.1504 0.6600 0.4120 3.8105 0.4704 0.1508 2.4067
PC(33:4)+H 0.3762 0.0136 0.8604 0.0497 0.2755 6.6165 0.4242 0.4162 0.1274 0.8404
PC(33:4)+H_1 2.1779 0.0642 0.0389 0.7390 1.2352 0.0282 1.9272 0.7338 0.8983 2.1571
PC(33:5)+H 1.3852 0.0371 0.8198 0.2657 0.8481 2.0579 0.8481 1.9392 0.3517 1.4473
PC(33:5)+H_1 0.8587 0.0309 1.4985 0.6642 0.1902 1.8587 1.1210 1.8154 1.1267 0.8357
PC(33:6)+H 0.7908 0.0505 0.9903 0.9601 0.2300 1.6329 1.2851 1.3172 1.8181 0.9250
PC(34:0e)+H 0.9135 0.0660 1.3011 0.7474 0.4192 1.4711 1.5502 1.8033 1.0163 0.7118
PC(34:0)+H 1.3605 0.3560 0.7896 0.2823 1.7419 1.2689 1.0388 1.1316 0.4539 1.5766
PC(34:0)+H_1 0.2491 0.0574 1.8519 2.8208 0.1156 0.2247 0.1593 0.4249 3.9765 0.1199
PC(34:1)+H 0.1750 0.0251 2.4410 1.3285 0.0565 3.2943 0.0529 0.9796 1.4257 0.2214
PC(34:1)+H_1 1.1972 0.0920 0.6759 0.0128 5.9641 0.1633 0.2438 0.8195 0.1633 0.6682
PC(34:1)+H_2 1.6038 0.0156 1.2169 0.1464 1.9112 0.7883 0.7737 1.1751 0.4056 1.9634
PC(34:1)+H_3 1.3390 0.4949 0.7266 0.2665 1.6385 1.1768 1.1619 1.1619 0.3294 1.7047
PC(34:2e)+H 1.3229 0.2609 1.2099 0.3982 1.5563 1.4236 1.0925 1.0864 0.4257 1.2237
PC(34:2e)+H_1 1.4941 0.1075 0.6892 0.4013 1.2760 0.7678 2.0721 0.8975 0.5496 1.7449
PC(34:2)+H 1.1924 0.2309 0.5962 0.3121 1.3502 0.7832 1.2333 1.0287 0.7657 2.5075
PC(34:2)+H_1 1.3428 0.4285 0.7823 0.2790 1.5919 1.2282 1.1161 1.0837 0.3563 1.7912
PC(34:2)+H_2 1.7468 0.0459 0.5593 0.2214 3.4318 0.8760 0.7755 0.6855 0.3167 1.3410
PC(34:3e)+H 1.4817 0.0483 0.8969 0.6768 0.5651 1.2452 1.1992 2.0403 0.3943 1.4522
PC(34:3e)+H_1 2.0117 0.2428 0.3657 0.2844 0.8295 0.4618 2.2793 0.4350 0.3449 2.7450
PC(34:3)+H 1.5246 0.1237 0.7179 0.3404 1.2416 1.3387 1.2838 1.1445 0.4308 1.8540
PC(34:3)+H_1 1.3408 0.1487 0.8235 0.3397 1.2173 1.3511 1.2430 1.0937 0.5198 1.9224
PC(34:3)+H_2 0.1100 NA 0.2917 3.4838 0.7232 0.2383 0.1752 0.9168 0.6125 2.4486
PC(34:3)+H_3 1.3597 0.0601 0.7532 0.3896 0.8978 0.9518 1.5324 0.9842 0.5676 2.5036
PC(34:3)+H_4 1.4970 0.0359 0.9702 0.3705 0.5645 1.4218 1.3883 1.5472 0.5152 1.6894
PC(34:4e)+H 2.0522 0.2047 0.4263 0.6469 1.1136 0.5112 2.2272 0.5780 0.4263 1.8136
PC(34:4)+H 1.2823 0.0202 1.0505 0.3458 0.9234 1.6748 1.2318 1.6617 0.5439 1.2655
PC(34:4)+H_1 1.3165 0.0766 0.8123 0.4173 0.8669 1.7388 1.2047 1.6146 0.4496 1.5028
PC(34:4)+H_2 1.8182 0.1102 0.8045 0.3990 0.9091 1.1585 0.8689 1.1665 0.3596 2.4055
PC(34:5e)+H 1.6868 0.2696 0.8900 0.5164 1.9249 0.7813 2.0025 0.8279 0.6623 0.4383
PC(34:5)+H 1.3643 0.2322 0.6571 0.1449 2.1853 1.0942 0.9014 1.0942 0.1867 2.1398
PC(34:5)+H_1 1.1433 0.0832 1.2773 0.4596 0.8941 1.6154 1.0807 1.6280 0.5811 1.2373
PC(34:5)+H_2 0.9656 0.0368 1.1624 0.5156 0.7115 1.8374 1.2093 1.7530 0.7771 1.0312
PC(34:6e)+H 1.7000 0.1401 1.0295 0.4910 1.0826 1.3260 1.0091 1.4008 0.4923 1.3287
PC(34:6)+H 0.7765 0.0517 1.4161 0.5364 0.8815 2.0350 0.8815 1.9882 0.7681 0.6649
PC(34:7)+H 0.6242 0.0285 1.6523 0.3689 0.9477 2.3954 0.5298 2.3779 0.5001 0.5752
PC(34:7)+H_1 0.2192 0.0838 1.8185 1.6786 1.2186 1.2339 0.2102 0.8912 2.1291 0.5168
PC(34:8)+H 0.3396 NA 2.1311 0.3102 0.8338 2.2819 0.3037 2.3291 0.3489 0.1216
PC(35:0)+H 1.6591 0.5437 0.6991 0.3093 2.2874 0.9262 0.7957 0.7627 0.3576 1.6591
PC(35:0)+H_1 1.4400 0.1059 0.8770 0.6039 0.8658 1.5608 1.0777 1.5143 0.6355 1.3192
PC(35:0)+H_2 1.5455 0.1254 0.7985 0.5947 0.9363 1.1311 1.4111 1.1311 0.8702 1.4559
PC(35:1e)+H 0.8572 0.0726 1.5401 0.8427 0.7337 1.4566 1.1878 1.6818 0.7301 0.8972
PC(35:1e)+H_1 1.0246 0.0420 1.2409 1.1482 0.4840 1.3619 1.4160 1.5884 0.9294 0.7646
PC(35:1)+H 1.4526 0.1582 0.8947 0.5147 0.8758 1.2424 1.2450 1.2882 0.6737 1.6547
PC(35:1)+H_1 1.6507 0.1972 0.7450 0.3586 0.9349 1.2125 1.3805 1.0664 0.4675 1.9867
PC(35:1)+H_2 1.2330 0.1340 0.8367 0.3410 2.1892 1.2330 0.9122 1.0883 0.4032 1.6293
PC(35:2e)+H 0.9304 0.1956 0.9092 0.4269 3.1188 1.1233 0.7493 1.2198 0.3330 0.9938
PC(35:2e)+H_1 1.2408 0.0486 1.3772 0.5762 1.0601 1.7563 1.0955 1.1283 0.4801 1.2370
PC(35:2e)+H_2 1.3742 0.0371 1.3602 0.7712 0.8413 1.7598 0.6310 1.3181 0.6520 1.2550
PC(35:2)+H 0.9288 0.3219 0.4217 0.3675 1.2593 1.3675 1.3077 0.7806 0.4672 2.7778
PC(35:2)+H_1 1.7747 0.1130 1.0014 0.2736 1.5467 1.0906 0.8566 1.3980 0.3787 1.5665
PC(35:3)+H 0.8323 1.0400 0.3425 0.1860 3.9523 1.0865 0.8633 0.4076 0.3596 0.9299
PC(35:3)+H_1 1.4454 0.0896 0.8242 0.3438 1.1589 1.4714 1.0573 1.3542 0.4323 1.8230
PC(35:4D8)+H 0.3281 3.8890 0.0646 0.0697 3.2219 0.2610 0.1112 NA 0.0477 1.0069
PC(35:4)+H 1.4726 0.0394 1.0300 0.2366 0.5647 2.0288 1.2031 1.9039 0.4341 1.0867
PC(35:4)+H_1 2.1773 0.2255 0.6649 0.3266 1.5358 0.4724 1.0303 0.2897 0.3421 2.9355
PC(35:5)+H 1.1916 0.0285 0.9180 0.4726 0.6173 2.0056 1.0944 1.9581 0.6557 1.0582
PC(35:5)+H_1 2.0590 0.0297 1.5031 0.6307 0.0990 0.7802 1.4633 0.5983 0.8426 1.9942
PC(35:5)+H_2 1.5683 0.1089 0.4075 0.2463 1.1959 1.8763 0.5751 1.7760 0.2764 1.9693
PC(35:5)+H_3 0.8091 0.0975 1.0398 0.6111 0.7623 1.1334 1.8240 0.8871 1.4685 1.3672
PC(35:6)+H 1.0689 0.0460 1.1906 0.5249 0.5736 1.8598 1.2427 1.4948 0.9299 1.0689
PC(36:0e)+H 0.5910 0.0366 1.4085 0.6408 0.3057 1.7323 1.8025 1.3632 1.5126 0.6069
PC(36:0)+H 1.3338 0.1964 0.7756 0.5176 1.0294 1.2613 1.5078 1.3411 0.7249 1.3121
PC(36:1e)+H 0.5433 0.0289 1.5933 0.8113 0.2974 1.6300 1.5566 1.9274 1.1638 0.4479
PC(36:1e)+Na 0.6044 0.0780 1.2978 0.5152 0.3641 1.9490 1.5562 2.4325 0.6920 0.5107
PC(36:1)+H 1.3720 0.3027 0.8515 0.3621 1.4993 1.2645 1.1457 1.1457 0.4696 1.5870
PC(36:1)+H_1 0.0771 0.0149 4.3238 3.6151 0.0365 0.0996 0.1470 0.1135 1.4987 0.0737
PC(36:2D3)+H 5.5342 0.0415 0.0859 1.5584 0.0629 0.0983 1.7355 0.0974 0.6862 0.0996
PC(36:2D3)+H_1 1.3852 0.2989 0.8465 0.3593 1.4858 1.2905 1.1898 1.1247 0.4801 1.5391
PC(36:2e)-CH3 0.7098 0.0484 1.4191 0.5547 0.5439 1.0206 1.1113 2.1116 1.0791 1.4015
PC(36:2e)+H 0.7408 0.0705 1.4936 0.6891 0.4421 1.8043 1.4896 1.6489 1.0157 0.6054
PC(36:2e)+H_1 0.8714 0.0785 0.9941 1.2309 0.5626 1.4572 1.5313 1.6836 0.7635 0.8270
PC(36:2e)+H_2 0.8697 0.0620 1.3016 0.3142 0.4930 1.5340 1.2361 1.8020 0.6895 1.6978
PC(36:2)+H 1.4836 0.2511 0.8235 0.3437 1.3441 1.3101 1.1910 1.1910 0.4253 1.6367
PC(36:2)+H_1 1.4819 0.0089 0.8750 0.6053 0.0030 1.5433 1.3965 1.5583 0.8046 1.7231
PC(36:3D4)+H 1.1876 1.3825 0.6361 0.2974 2.4597 1.0332 0.4706 0.5920 0.3305 1.6104
PC(36:3D5)+H 1.3535 0.2887 0.8564 0.3617 1.4853 1.2936 1.1858 1.1499 0.4737 1.5512
PC(36:3e)+H 1.0498 0.1495 1.2316 0.3613 0.8998 1.5179 1.2089 1.6043 0.5863 1.3907
PC(36:3e)+H_1 1.1961 0.0510 0.9071 0.4522 1.0147 1.4380 1.3372 1.4649 0.5194 1.6194
PC(36:3)+H 2.9127 0.3427 0.4069 0.0383 2.0603 0.6511 0.3941 0.5654 0.0371 2.5915
PC(36:3)+H_1 1.4340 0.3725 0.7441 0.2227 1.6705 1.3009 0.9461 1.1876 0.3080 1.8134
PC(36:3)+H_2 1.2529 0.1516 0.8584 0.3392 1.3291 1.4398 1.0937 1.3775 0.4410 1.7167
PC(36:4D3)+H 1.7933 0.1287 0.8575 0.2964 1.4524 0.2111 0.8913 1.1772 0.0377 3.1546
PC(36:4e)+H 1.6027 0.1873 0.9655 0.6823 1.3968 1.1457 0.8625 1.3453 0.3122 1.4997
PC(36:4)+H 1.3888 0.2038 0.8339 0.2860 1.5679 1.4064 0.9719 1.2126 0.3641 1.7646
PC(36:4)+H_1 0.7442 2.5687 0.3181 0.0559 3.4375 0.4306 0.3298 0.3422 0.0657 1.7074
PC(36:4)+H_2 1.4115 0.4617 0.4927 0.3083 1.6269 1.4100 1.0133 0.3300 0.4509 2.4946
PC(36:4)+H_3 1.5232 0.3232 0.8584 0.3349 1.5821 1.3128 0.8668 0.9762 0.2701 1.9524
PC(36:5D3)+H 1.3854 0.2015 0.8501 0.2903 1.5491 1.4169 0.9572 1.2280 0.3709 1.7506
PC(36:5e)+H 1.4193 0.1750 1.0464 0.6279 1.2976 1.1720 0.9817 1.4346 0.4033 1.4422
PC(36:5e)+H_1 2.3792 0.0807 0.3914 0.3037 0.9232 0.4298 2.2038 0.5011 0.4298 2.3573
PC(36:5e)+H_2 1.4913 0.3637 0.8608 0.4601 1.5822 1.3215 0.7517 1.1882 0.2528 1.7277
PC(36:5)+H 1.4859 0.1956 0.7751 0.3627 1.3454 1.2651 1.1245 1.1245 0.4217 1.8996
PC(36:5)+H_1 0.7806 0.0871 1.3362 0.1530 1.5540 2.1059 0.5664 2.1604 0.2360 1.0203
PC(36:5)+H_2 1.5734 0.0649 0.7977 0.4033 0.8142 1.4964 1.2763 1.4469 0.5479 1.5789
PC(36:6e)+H 0.2082 0.2465 0.5563 1.0458 1.5880 0.5176 4.4719 0.1368 0.6303 0.5986
PC(36:6e)+H_1 1.2168 0.4323 1.0116 0.2825 1.9517 1.3982 0.5249 1.3123 0.2663 1.6034
PC(36:6e)+H_2 1.5675 0.2787 0.5317 0.4815 1.4138 0.5051 2.0080 0.4323 0.6710 2.1104
PC(36:6)+H 1.4335 0.0453 0.9939 0.5785 0.4568 1.4653 1.1977 1.4908 0.7582 1.5800
PC(36:6)+H_1 1.2695 0.1927 0.7567 0.5377 1.3790 0.9459 1.7026 0.6970 0.7468 1.7723
PC(36:6)+H_2 0.9026 0.0353 1.0155 0.8967 0.5226 1.5262 1.4965 1.5024 1.3005 0.8017
PC(36:6)+H_3 1.1880 0.6377 0.3881 0.0867 3.3805 0.8503 0.6794 0.5169 0.0299 2.2425
PC(36:6)+H_4 1.3885 0.0542 0.8067 0.4608 0.5136 1.6014 1.2777 1.4907 0.7283 1.6781
PC(36:7e)+H 1.3889 0.2373 0.9759 0.4657 1.3929 1.1459 1.1419 0.9799 0.6600 1.6116
PC(36:7e)+H_1 3.1329 0.0544 0.3655 0.1292 0.6856 0.3723 1.0829 0.2883 0.4609 3.4280
PC(36:7e)+H_2 2.6924 0.0196 0.1187 0.5506 0.0093 0.1792 3.1462 0.1951 0.3963 2.6924
PC(36:7)+H 1.6746 0.0872 0.7653 0.1459 1.2155 1.5936 0.9364 1.4676 0.1603 1.9538
PC(36:7)+H_1 1.0909 0.0576 0.9997 0.6713 0.7224 1.7002 0.9413 1.6783 1.0180 1.1201
PC(36:8)+H 1.0073 0.0767 1.0073 0.7863 0.7213 1.8651 0.8318 2.0600 0.8188 0.8253
PC(37:0)+H 1.1467 0.0451 0.9496 0.7409 0.4614 1.3886 1.3259 1.7917 0.9855 1.1646
PC(37:0)+H_1 1.9584 0.0959 0.3131 0.7276 0.7082 1.0688 1.4747 0.8011 0.7255 2.1268
PC(37:1)+H 1.3957 0.1155 0.8659 0.6801 0.8540 1.2929 1.3838 1.1861 0.8580 1.3680
PC(37:1)+H_1 0.9175 0.0655 0.5280 0.4952 2.5543 0.7306 1.9977 1.0003 0.5608 1.1501
PC(37:1)+H_2 1.6429 0.1435 0.7177 0.4453 1.4570 1.0808 0.8171 0.9079 0.4099 2.3779
PC(37:2)+H 1.6303 0.1351 0.8706 0.5155 1.0394 1.2452 1.6040 1.0341 0.6595 1.2663
PC(37:2)+H_1 1.6781 0.1717 0.7426 0.3626 1.3116 1.2634 1.1284 1.2634 0.4485 1.6299
PC(37:3)+H 1.0546 0.0997 1.0444 0.6336 0.7317 1.6882 1.4470 1.6167 0.9013 0.7828
PC(37:3)+H_1 1.7259 0.3112 0.6953 0.3309 2.1993 0.8038 0.8482 1.1391 0.2697 1.6766
PC(37:3)+H_2 1.8689 0.1394 0.7964 0.3789 0.1528 1.2331 1.2266 1.0789 0.5883 2.5368
PC(37:4e)+H 1.7945 0.1587 1.0132 1.2365 0.9542 0.9596 0.9596 1.0559 0.3140 1.5538
PC(37:4e)+H_1 2.1003 0.1345 0.8595 1.0163 0.9640 1.0937 0.8750 1.0066 0.4404 1.5099
PC(37:4)+H 1.2287 0.2793 0.5947 0.1470 1.6591 0.9561 1.1844 0.8706 0.1725 2.9076
PC(37:4)+H_1 1.7228 0.2728 0.6827 0.3446 2.3162 0.9635 0.8422 1.0305 0.3605 1.4643
PC(37:4)+H_2 1.0767 0.0171 0.4345 0.2123 0.5537 4.9218 0.6537 0.6998 0.4768 0.9536
PC(37:4)+H_3 1.9975 0.0246 0.9948 0.2685 1.3890 0.7884 0.9564 1.6138 0.3664 1.6006
PC(37:4)+H_4 1.8523 0.2515 0.5456 0.3536 1.4481 0.8229 1.2348 0.6893 0.3211 2.4809
PC(37:4)+H_5 1.9956 0.1757 0.7109 0.4022 1.0082 1.0914 0.9303 0.8326 0.3586 2.4945
PC(37:5e)+H 1.3311 0.2980 1.1250 0.5959 1.3868 1.1807 0.9691 1.3144 0.2896 1.5093
PC(37:5e)+H_1 1.6821 0.1573 0.8641 0.9620 1.3999 0.9332 0.9851 0.9793 0.4009 1.6360
PC(37:5)+H 1.7033 0.2092 0.6416 0.3372 1.4661 0.9178 1.1044 0.8166 0.3889 2.4149
PC(37:5)+H_1 1.2742 0.1605 0.8469 0.5043 1.0548 1.5745 1.0201 1.4320 0.5351 1.5976
PC(37:5)+H_2 1.5700 0.0951 0.8394 0.4406 1.0332 1.0116 1.2193 0.8736 0.6635 2.2537
PC(37:5)+H_3 1.7826 0.1865 0.7991 0.4067 1.1116 1.2038 0.9323 0.9784 0.4016 2.1975
PC(37:6)+H 1.8244 0.1389 0.4779 0.2941 1.3175 0.9112 1.0022 0.6288 0.4063 2.9988
PC(37:6)+H_1 0.0984 0.0469 1.5148 0.8782 0.2693 2.7750 0.7982 2.7261 0.3803 0.5126
PC(37:6)+H_2 1.8938 0.0485 0.9410 0.5134 0.3788 1.6556 1.4650 1.5365 0.8361 0.7313
PC(37:6)+H_3 1.4562 0.0418 1.5584 0.7524 0.5097 0.9171 1.6350 0.3602 1.1471 1.6222
PC(38:0)+H 1.1378 0.1460 0.7828 0.6235 0.7707 1.4409 1.6539 1.2261 1.1724 1.0460
PC(38:1)+H 1.1834 0.1470 0.9648 0.6614 0.8418 1.4732 1.3092 1.2080 0.8828 1.3283
PC(38:2D3)+H 3.5165 1.3881 2.4986 0.3418 0.5751 0.2242 0.1336 0.0539 0.9933 0.2749
PC(38:2e)+H 0.6464 0.0387 1.3682 0.7111 0.3277 1.9334 1.3927 1.7942 1.2043 0.5833
PC(38:2)+H 2.0811 0.2715 0.6948 0.2930 1.6425 1.2487 0.9477 1.1622 0.4803 1.1782
PC(38:2)+H_1 1.0044 0.0617 0.8601 0.8412 0.5713 1.3497 1.8645 1.2116 0.4401 1.7954
PC(38:3D4)+H 1.3722 0.8424 0.6899 0.1856 2.2908 1.0825 1.1854 0.5679 0.2432 1.5399
PC(38:3D5)+H 1.4181 0.2066 0.8772 0.3193 0.8640 1.5947 1.1495 1.1871 0.5954 1.7881
PC(38:3e)+H 1.3760 0.1107 0.7151 0.5841 1.0508 1.0267 1.5958 1.1336 0.6157 1.7915
PC(38:3e)+H_1 0.9301 0.0794 1.6107 0.5188 0.6488 1.5805 1.5124 1.5426 0.7146 0.8621
PC(38:3)+H 1.4603 0.3398 0.6566 0.3430 1.5452 1.0617 1.0715 0.9441 0.3855 2.1921
PC(38:3)+H_1 1.7303 0.1644 0.9541 0.6402 1.1680 0.9121 1.6562 0.8639 0.8911 1.0197
PC(38:4e)+H 1.2830 0.1646 0.9604 0.7882 1.3197 1.1877 1.0924 1.5140 0.4876 1.2024
PC(38:4e)+H_1 1.4859 0.1199 0.9296 0.7975 1.0572 1.3122 1.3184 1.2923 0.5101 1.1770
PC(38:4)+H 1.6534 0.5147 0.3691 0.2913 2.0667 1.1711 1.0038 0.5688 0.1171 2.2439
PC(38:4)+H_1 1.4357 0.2632 0.6713 0.3151 1.4662 1.0992 1.2513 0.9936 0.4279 2.0766
PC(38:4)+H_2 1.4689 0.6904 0.5190 0.3220 2.1917 0.8526 0.7970 0.7275 0.2391 2.1917
PC(38:4)+H_3 1.5198 0.3033 0.4851 0.3502 1.6778 0.8450 1.1672 0.9605 0.4237 2.2675
PC(38:5e)-CH3 1.4477 0.0601 0.9031 1.0630 0.6637 1.2877 0.8548 2.1094 0.6328 0.9777
PC(38:5e)+H 0.9916 0.1542 2.0448 1.3626 0.9410 0.9898 0.5121 1.6793 0.3511 0.9735
PC(38:5e)+H_1 1.2991 0.4865 0.8235 0.5694 2.0791 0.8941 1.1442 0.9077 0.4634 1.3331
PC(38:5e)+H_2 1.5471 0.1481 1.0101 0.6056 1.0288 1.1603 1.0896 1.5803 0.4155 1.4145
PC(38:5)+H 2.1700 0.1722 0.4874 0.2204 0.9128 1.6705 0.6372 0.7578 0.2420 2.7297
PC(38:5)+H_1 1.6130 0.3817 1.1547 0.3720 0.3217 1.4015 1.2428 1.3751 0.4892 1.6483
PC(38:5)+H_2 1.3666 0.4992 0.5916 0.2871 2.2340 0.8050 1.2480 0.6864 0.3538 1.9282
PC(38:5)+H_3 1.3436 0.8548 0.4220 0.0727 2.9757 0.6889 0.6943 0.5699 0.1237 2.2543
PC(38:6e)+H 1.8006 0.0987 1.2673 0.8114 0.0794 0.7805 0.9273 1.2287 0.9041 2.1019
PC(38:6e)+H_1 1.6140 0.3212 1.2794 0.3860 1.5223 0.7827 1.2686 0.8529 0.5074 1.4656
PC(38:6e)+H_2 1.2213 0.2924 1.1333 0.5470 1.4995 1.0987 1.2512 1.2009 0.4527 1.3030
PC(38:6e)+H_3 1.0860 0.2424 1.4706 0.4008 0.8258 1.5579 1.2476 1.4835 0.5123 1.1732
PC(38:6e)+H_4 2.0281 0.1167 1.1097 0.6898 0.1904 1.0045 2.1429 0.6324 0.5262 1.5594
PC(38:6)+H 1.1869 0.1432 0.8387 0.4890 1.1330 0.8240 1.1575 0.7847 0.8289 2.6142
PC(38:6)+H_1 1.3524 0.5072 0.7375 0.2861 1.9692 1.0570 1.0477 0.8230 0.3437 1.8763
PC(38:6)+H_2 1.5256 0.1180 0.7389 0.3960 0.7043 1.4406 1.3183 1.4166 0.6592 1.6824
PC(38:6)+H_3 1.5316 0.1896 0.8310 0.3304 1.3805 1.3942 0.8929 1.2706 0.3523 1.8269
PC(38:6)+H_4 0.0407 0.0055 0.1300 0.4861 0.3925 1.8317 2.3788 1.1180 0.7224 2.8942
PC(38:7e)+H 1.7733 0.0473 0.5641 0.2664 0.4309 0.6764 3.0294 0.7574 0.3238 2.1310
PC(38:7e)+H_1 1.8017 0.3573 0.7337 0.3286 1.5342 0.8980 1.1846 0.8101 0.3076 2.0443
PC(38:7e)+H_2 2.3951 0.1026 0.1132 0.3619 0.3645 0.1682 2.6461 0.1396 0.2087 3.5002
PC(38:7e)+H_3 2.1492 0.0373 0.2439 0.4779 0.2073 0.1578 3.0943 0.1318 0.5815 2.9190
PC(38:7)+H 1.0665 0.1405 1.1191 0.6587 0.8938 1.5022 1.3069 0.9163 1.1341 1.2618
PC(38:7)+H_1 1.5537 0.0369 0.8503 0.4504 0.4162 1.6377 1.2545 1.7637 0.7978 1.2388
PC(38:7)+H_2 1.2683 0.0723 0.9998 0.5206 0.7065 1.1671 1.8736 0.8366 0.9089 1.6464
PC(38:7)+H_3 0.0402 1.6935 1.2657 0.2619 2.6017 0.2865 1.7052 0.1723 0.3264 1.6466
PC(38:7)+H_4 1.5962 0.1107 0.9358 0.5696 0.8958 1.3767 1.1971 1.2271 0.6744 1.4166
PC(38:7)+H_5 1.3803 0.0434 0.8536 0.7692 0.4395 1.5143 1.4741 1.4473 1.0720 1.0064
PC(38:8e)+H 2.1780 0.0063 0.0579 0.4637 0.0800 0.0717 3.7781 0.0468 0.2948 3.0225
PC(38:8e)+H_1 1.2619 0.0237 0.9898 0.6743 0.3024 1.5918 1.5339 2.0259 0.6382 0.9580
PC(38:8)+H 1.3782 0.0387 0.8594 0.8043 0.4074 1.5462 1.4853 1.4808 1.0378 0.9619
PC(38:9)+H 1.1881 0.0494 0.8613 1.0969 0.4661 1.4541 1.2261 1.5098 1.1906 0.9576
PC(38:9)+H_1 1.5723 0.0461 0.6377 0.1723 0.4777 2.0616 1.4053 1.9827 0.1670 1.4772
PC(39:0)+H 1.2775 0.1823 0.6387 0.6718 0.9140 1.1949 1.6629 1.0242 1.0847 1.3490
PC(39:2)+H 0.7559 0.0366 0.9489 0.5468 0.5508 1.6606 1.5842 1.5721 0.8926 1.4515
PC(39:2)+H_1 1.5429 0.1397 0.5381 0.8298 0.6191 0.9789 1.6985 0.9886 0.8655 1.7990
PC(39:3)+H 3.0020 0.1304 0.3678 0.9826 0.3195 0.1017 2.7453 0.3955 1.2294 0.7258
PC(39:4D8)+H 1.1665 0.0876 1.0137 0.5145 0.5960 1.7930 1.1817 1.5485 0.8557 1.2429
PC(39:4e)+H 1.7266 0.0313 0.9666 1.1020 0.7516 0.7228 1.0495 2.2852 0.5332 0.8312
PC(39:4)+H 1.4800 0.2538 0.6233 0.3930 1.0585 0.6988 1.3917 0.6145 0.5165 2.9697
PC(39:4)+H_1 1.8289 0.2498 0.6840 0.4531 1.4505 0.8538 1.2661 0.8053 0.3808 2.0277
PC(39:5e)+H 1.6522 0.2075 0.5134 1.0224 1.5707 0.5246 1.9115 0.5786 0.5075 1.5114
PC(39:5e)+H_1 0.9346 0.2074 0.8664 0.4987 2.0740 1.1052 1.9239 0.8528 0.4728 1.0643
PC(39:5)+H 1.6619 0.1399 0.4623 0.3719 1.8243 0.5165 1.4328 0.5331 0.4832 2.5740
PC(39:5)+H_1 1.4153 0.0931 0.9343 0.3460 1.2838 1.4949 1.0519 0.9170 0.5398 1.9239
PC(39:5)+H_2 0.8307 0.1102 0.3307 0.2132 1.2080 0.7971 2.0542 0.5581 0.2804 3.6174
PC(39:5)+H_3 1.3648 0.2572 0.7570 0.5918 1.1542 0.9223 1.9939 0.9170 0.7570 1.2848
PC(39:6)+H 0.1701 0.7715 0.6785 0.2960 2.4074 0.6832 1.8637 0.7204 0.0111 2.3981
PC(39:6)+H_1 1.8393 0.0576 0.7221 0.5232 0.6499 1.1921 1.4101 0.9265 0.3427 2.3366
PC(39:6)+H_2 1.6781 0.1800 0.8095 0.3808 0.9999 1.1390 0.9651 0.8243 0.5539 2.4694
PC(39:6)+H_3 1.6630 0.1908 0.7311 0.4805 1.3641 0.9043 1.2721 0.8123 0.7656 1.8162
PC(39:7)+H 1.5616 0.1782 0.7466 0.4785 1.0463 1.3250 1.1357 1.0516 0.7046 1.7719
PC(39:7)+H_1 1.2704 0.1777 0.9168 0.4694 1.0608 1.3580 1.4425 1.0295 0.7103 1.5646
PC(40:0)+H 0.9852 0.2673 0.8217 0.4816 1.2547 1.4137 1.5993 1.1442 0.9410 1.0912
PC(40:10)+H 1.9079 0.0896 0.8079 0.2700 0.4815 1.4143 1.4164 1.7327 0.4050 1.4748
PC(40:10)+H_1 1.0416 0.0658 0.9202 1.0416 0.4767 1.3355 1.5273 1.2333 1.3675 0.9905
PC(40:10)+H_2 0.8450 0.0862 0.7974 0.8839 1.0493 0.5721 1.8163 0.5527 2.8167 0.5805
PC(40:1)+H 0.8867 0.0922 0.9614 0.6321 0.6716 1.9491 1.5277 1.2906 1.0711 0.9175
PC(40:2)+H 0.9683 0.0725 1.1094 0.5573 0.6297 1.8533 1.2633 1.5391 0.8850 1.1222
PC(40:2)+H_1 0.6431 0.0989 0.9773 0.5887 0.8887 1.7470 1.5318 1.3926 0.9191 1.2128
PC(40:3e)+H 0.7912 0.0572 1.1813 0.7846 0.3400 1.3055 1.6281 1.8417 1.3251 0.7454
PC(40:3)+H 1.2294 0.2866 0.7318 0.2388 1.8641 1.3465 1.0368 1.4127 0.3759 1.4774
PC(40:3)+H_1 1.1778 0.2346 0.7536 0.5336 1.3371 1.4221 1.1961 1.0952 0.6333 1.6166
PC(40:3)+H_2 1.2309 0.0284 0.8354 0.5871 0.1690 1.6973 1.5501 1.5164 1.0145 1.3710
PC(40:4e)+H 0.8575 0.0168 1.3902 1.2776 0.2299 1.3383 1.3772 1.2083 1.2516 1.0524
PC(40:4)+H 1.7102 0.3348 0.5980 0.4365 1.4643 1.0283 1.0730 0.9669 0.2141 2.1740
PC(40:5e)+H 1.1444 0.4549 0.7460 0.4860 1.9327 0.8110 1.7943 0.8957 0.5538 1.1811
PC(40:5e)+H_1 1.3037 0.1049 0.9507 0.6851 0.8214 1.3282 1.4680 1.5100 0.6886 1.1395
PC(40:5)+H 1.3900 0.3614 0.8300 0.3659 1.2651 1.3030 1.3409 1.0888 0.4663 1.5886
PC(40:5)+H_1 1.7714 1.0926 0.0446 0.2105 2.6913 0.6065 0.5865 0.4700 0.1567 2.3700
PC(40:6e)+H 1.0939 0.2636 0.9011 0.5323 1.3957 1.3873 1.3957 1.0981 0.6245 1.3077
PC(40:6e)+H_1 1.3463 0.8253 1.1340 0.6436 1.8674 0.7071 1.8695 0.8625 0.6677 0.0765
PC(40:6e)+H_2 1.1804 0.1912 1.0864 0.5108 0.6424 1.5356 1.0655 1.8072 0.5704 1.4102
PC(40:6e)+H_3 1.1915 0.1790 1.0478 0.4748 1.0718 1.3113 1.9340 1.2574 0.5503 0.9820
PC(40:6)+H 1.3250 0.4376 0.7484 0.2748 1.5991 1.1369 1.0838 1.0020 0.4417 1.9508
PC(40:6)+H_1 1.1820 0.4985 0.7868 0.3122 1.8336 1.1714 1.1998 0.9257 0.4094 1.6805
PC(40:6)+H_2 1.2602 0.4422 0.5775 0.3156 2.0803 0.7836 1.4062 0.6333 0.4358 2.0653
PC(40:6)+H_3 1.2154 0.4302 0.8360 0.1350 1.8262 1.2218 1.3825 0.9324 0.2521 1.7684
PC(40:6)+H_4 1.5412 0.2359 0.7635 0.4301 1.4547 1.1638 1.0380 1.1009 0.4474 1.8243
PC(40:7e)+H 1.4169 0.3291 0.8186 0.3998 1.7786 1.0171 0.9872 0.8540 0.6010 1.7977
PC(40:7e)+H_1 1.0660 0.3153 1.1784 0.3852 1.2330 1.4621 1.2875 1.2330 0.5630 1.2766
PC(40:7e)+H_2 1.5004 0.3939 1.2057 0.3470 1.4067 1.2727 1.0449 0.8373 0.3838 1.6076
PC(40:7)+H 0.3367 0.7141 0.0350 0.4860 3.0139 0.0929 2.1179 0.1662 0.0236 3.0139
PC(40:7)+H_1 1.3927 0.1817 0.8209 0.3720 1.3531 1.2399 1.2682 1.1550 0.5180 1.6985
PC(40:7)+H_2 1.3754 0.4339 0.8187 0.2865 1.7601 1.1298 1.0806 0.9456 0.3807 1.7888
PC(40:8e)+H 1.2019 0.3644 1.0583 0.4165 1.7991 1.0810 1.2321 0.8013 0.5337 1.5118
PC(40:8)+H 1.6705 0.0213 0.7600 0.5787 0.5132 1.2792 1.4749 1.6329 0.7600 1.3093
PC(40:8)+H_1 1.3573 0.2296 0.7343 0.4161 1.3084 1.2461 1.4018 0.9701 0.5741 1.7623
PC(40:9e)+H 0.9755 0.0414 1.2149 0.6527 0.4523 1.3923 1.5962 1.6672 0.8637 1.1440
PC(40:9)+H 2.0483 0.0527 1.5248 1.0435 0.0488 1.9003 0.3488 1.5021 1.4224 0.1084
PC(40:9)+H_1 1.3350 0.0573 0.9178 0.5578 0.5597 1.4056 1.7907 1.2965 0.9628 1.1168
PC(40:9)+H_2 1.5888 0.5007 0.5970 0.0306 2.6817 1.0929 0.2335 1.1314 0.0299 2.1136
PC(41:1)+H 0.9737 0.0993 0.9784 0.5890 0.7623 1.9118 1.4415 1.2682 0.9001 1.0758
PC(41:2)+H 0.5374 0.1180 1.0814 0.8901 0.7715 1.1605 1.9056 1.4836 1.5166 0.5354
PC(41:2)+H_1 0.7626 0.0350 1.1192 0.7061 0.3298 1.9207 1.3628 1.7371 1.1828 0.8438
PC(41:3)+H 0.9585 0.0668 0.9421 0.7078 0.4514 1.6712 1.4746 1.5402 1.0322 1.1551
PC(41:3)+H_1 1.1781 0.1290 0.5580 0.2703 1.4571 1.2773 0.7130 1.0169 0.3869 3.0134
PC(41:4)+H 2.3112 0.0885 0.3667 0.7354 0.5635 0.6876 1.4096 0.7430 0.6876 2.4067
PC(41:5)+H 1.4708 0.2545 0.4198 0.5646 1.6985 0.4963 1.7349 0.5464 0.7377 2.0764
PC(41:6)+H 1.2348 0.5289 0.6640 0.4110 2.1119 0.8352 1.3851 0.5498 0.5403 1.7390
PC(41:6)+H_1 2.1658 0.0185 0.8653 0.3920 0.4061 1.2734 1.7045 0.7259 0.6237 1.8248
PC(41:6)+H_2 1.1977 0.5042 0.7341 0.4127 1.4874 0.9079 1.5003 0.5673 0.6085 2.0798
PC(41:7)+H 1.2831 0.6333 0.8434 0.3127 1.9132 0.9188 1.2011 0.5743 0.4036 1.9165
PC(41:7)+H_1 1.1842 0.2328 1.1347 0.4112 0.7606 1.3511 1.3666 1.0358 0.6091 1.9139
PC(41:7)+H_2 1.4616 0.1142 0.6162 0.3955 0.9214 0.9572 0.9013 0.8984 0.6391 3.0951
PC(42:10)+H 1.6937 0.2225 0.8392 0.5768 1.3488 1.0437 1.1932 0.9338 0.4364 1.7120
PC(42:10)+H_1 0.0539 0.0549 0.3017 1.1558 0.5564 0.0312 3.7809 0.0258 3.4675 0.5720
PC(42:10)+H_2 1.4242 0.0627 0.9388 0.5546 0.6500 1.3924 1.4299 1.4299 0.9360 1.1815
PC(42:11)+H 1.2581 0.1201 1.1479 0.7876 0.7383 1.2207 1.4944 1.2621 0.9057 1.0652
PC(42:11)+H_1 1.5146 0.3920 0.4670 0.1159 2.3350 0.8119 0.8440 0.6834 0.1155 2.7207
PC(42:1)+H 0.8599 0.1189 1.2330 0.3965 0.8979 1.9412 1.4670 1.2836 0.7525 1.0496
PC(42:2)+H 0.7798 0.0549 1.6850 0.4937 0.4271 1.9514 1.1951 1.7045 0.9365 0.7719
PC(42:2)+H_1 0.4899 0.0920 1.3960 0.6536 0.6891 1.4214 1.8148 1.5356 1.1257 0.7818
PC(42:3)+H 0.9163 0.0718 1.2072 0.5171 0.5680 1.7017 1.5345 1.5926 0.9018 0.9890
PC(42:3)+H_1 0.8602 0.0441 0.9896 0.6470 0.4720 1.8402 1.6294 1.2795 1.2364 1.0016
PC(42:3)+Na 1.1495 0.0418 1.0834 0.4037 0.7595 1.7403 1.3229 1.5054 0.5383 1.4552
PC(42:4)+H 1.0421 0.0314 0.8907 0.6807 0.1108 1.8278 1.6641 1.5550 1.1321 1.0653
PC(42:4)+H_1 1.2628 0.0899 0.8397 0.7725 0.7384 1.4656 1.5486 1.2168 0.8029 1.2628
PC(42:5)+H 1.9133 0.4631 0.9599 0.5857 0.2776 0.4793 2.7046 1.1480 0.8367 0.6317
PC(42:5)+H_1 1.2616 0.2397 0.6369 0.6450 1.1359 1.1156 1.6592 0.9209 0.9290 1.4563
PC(42:5)+H_2 1.1084 0.0956 0.5850 0.4473 1.3077 1.4925 1.1911 0.9058 0.5818 2.2849
PC(42:6e)+H 0.7313 0.0998 1.3914 0.5866 0.6189 1.6363 1.9368 1.1688 1.0820 0.7480
PC(42:6)+H 1.1231 0.4506 0.6499 0.4055 1.9757 0.9255 1.4714 0.7314 0.5459 1.7210
PC(42:6)+H_1 1.2704 0.2848 0.7601 0.5177 1.1751 1.1963 1.6938 0.8363 0.8046 1.4609
PC(42:6)+H_2 1.2571 0.3334 0.6739 0.4527 1.2332 1.1059 1.7026 0.8195 0.7113 1.7106
PC(42:7)+H 1.2066 0.2085 0.9904 0.2898 0.7093 1.4921 1.2196 1.1374 0.5103 2.2360
PC(42:7)+H_1 1.1943 0.4354 0.7464 0.4126 1.5011 1.2150 1.3394 0.8625 0.5764 1.7168
PC(42:8)+H 1.5580 0.2510 0.7236 0.4233 1.2011 1.1519 1.2774 0.8196 0.5956 1.9985
PC(42:9)+H 1.6339 0.5014 0.6613 0.5187 2.3471 0.1958 1.3573 0.3337 0.5230 1.9278
PC(42:9)+H_1 1.8588 0.0022 1.3458 0.3606 0.0790 1.8570 1.5967 1.6376 0.6134 0.6487
PC(42:9)+H_2 1.3600 0.0887 0.8100 0.5309 0.8182 1.2697 1.5516 1.0590 0.9359 1.5762
PC(43:2)+H 0.6508 0.1124 0.8915 0.7526 0.8810 1.2963 1.8122 1.6402 1.4021 0.5608
PC(43:2)+H_1 1.1940 0.0378 1.3108 0.5801 0.3816 2.2453 1.3043 1.3368 0.9150 0.6943
PC(43:3)+H 0.7952 0.0446 1.1179 0.6977 0.3366 1.7993 1.5439 1.6716 1.3001 0.6930
PC(43:3)+H_1 1.0384 0.1585 0.8280 0.5639 0.9565 1.5486 1.5030 1.1022 0.7980 1.5030
PC(43:5)+H 1.3056 0.1189 0.6423 0.8547 0.7498 0.9005 1.7565 0.7118 1.0329 1.9269
PC(43:6)+H 1.9164 0.1727 0.3287 0.5492 0.8105 0.5795 1.5528 0.4280 0.7499 2.9124
PC(44:10)+H 1.3857 0.4196 0.6909 0.4465 1.8187 0.8718 1.3241 0.7756 0.5370 1.7302
PC(44:10)+H_1 0.8247 1.6551 0.2570 0.1700 4.2422 0.2830 0.8756 0.2169 0.1932 1.2823
PC(44:11)+H 1.4925 0.1402 0.9548 0.5176 1.0403 1.1307 1.4322 1.2161 0.6684 1.4071
PC(44:11)+H_1 1.1529 0.4578 0.7358 0.4476 2.1465 0.6579 1.9227 0.5493 0.6205 1.3089
PC(44:12)+H 1.1525 0.2455 1.0483 0.5281 1.0288 1.3739 1.5757 1.1851 0.7488 1.1134
PC(44:12)+H_1 1.4462 0.0082 3.3539 0.5806 0.0851 0.7177 0.6564 1.0999 0.9160 1.1360
PC(44:12)+H_2 1.8033 0.0578 0.4285 0.2605 1.4719 1.7494 0.9556 1.2099 0.0439 2.0191
PC(44:1)+H 0.7629 0.1139 0.9681 0.3841 1.0681 2.0177 1.5205 1.3916 0.7129 1.0602
PC(44:2)+H 0.8844 0.0899 0.8341 0.5817 1.1720 1.6825 2.1211 0.9707 0.9563 0.7075
PC(44:2)+H_1 0.7391 0.0478 1.4888 0.6117 0.4138 2.0390 1.2354 1.5892 1.1574 0.6777
PC(44:3)+H 0.5217 0.0430 0.9606 0.6818 0.3597 2.1189 2.0812 1.2996 1.2337 0.6997
PC(44:4)+H 0.7971 0.0331 1.0386 0.6539 0.2650 1.8699 1.7074 1.5685 1.3463 0.7202
PC(44:4)+H_1 0.4379 0.0343 1.0001 0.9468 0.2755 1.7487 1.8345 1.2398 1.9232 0.5592
PC(44:4)+H_2 0.8110 0.0786 0.9555 0.8722 0.6152 1.7360 1.8054 1.2721 0.9971 0.8569
PC(44:5)+H 0.5715 0.0678 0.7479 0.6126 2.8789 1.3204 1.1689 0.9806 1.1148 0.5368
PC(44:5)+H_1 1.0740 0.0747 0.7791 0.8524 1.5087 1.3212 1.2701 1.2616 0.9547 0.9035
PC(44:5)+H_2 0.8994 0.0550 0.9681 0.6620 0.1955 1.7988 1.7301 1.6176 1.1679 0.9056
PC(44:5)+H_3 0.8259 0.0832 0.9342 0.9285 0.5696 1.4639 1.9481 1.0424 1.3671 0.8373
PC(44:6)+H 1.1183 0.1376 0.8192 0.7271 0.6995 1.3714 1.6936 1.2610 0.9757 1.1966
PC(44:6)+H_1 0.9311 0.1463 0.7606 0.9414 0.6071 1.3063 1.9441 0.8595 1.4632 1.0403
PC(44:7)+H 0.9153 0.3220 0.7910 0.6458 1.0098 1.4858 1.5751 0.8400 0.9608 1.4543
PC(44:9)+H 1.7631 0.5015 0.5030 0.4267 1.7853 0.7038 1.0742 0.8371 0.3385 2.0668
PC(45:6)+H 0.8541 0.1848 0.7402 1.2975 0.6385 1.0641 1.8949 0.6282 1.6802 1.0175
PC(46:2)+H 0.6702 0.0615 1.0614 0.3748 0.5878 1.9372 1.3583 2.1005 0.7942 1.0540
PC(46:4)+H 0.5680 0.0115 1.0777 0.7806 0.2499 1.8991 1.6020 1.7826 1.6079 0.4206
PC(46:5)+H 1.0509 0.0569 0.9467 0.7461 0.4013 1.4157 1.6155 1.7805 1.4070 0.5793
PC(46:5)+H_1 1.4356 0.0291 0.9309 0.8461 0.4156 1.2469 1.4017 1.6498 1.0900 0.9543
PC(46:5)+H_2 0.6400 0.1446 0.9323 0.9356 0.9289 1.2162 2.4525 0.8584 1.2850 0.6064
PC(46:6)+H 1.2112 0.1311 0.8232 0.8478 0.5573 1.0382 2.1310 0.8742 1.3296 1.0564
PC(46:6)+H_1 0.6322 0.0103 0.8478 0.9627 0.3266 1.8105 1.5339 1.4800 1.5267 0.8693
PC(46:6)+H_2 0.5144 0.1453 0.7954 1.2050 0.7240 1.0907 2.2720 0.5954 2.1529 0.5049
PC(46:7)+H 0.8264 0.0179 1.2916 0.6321 0.5612 1.3259 2.0803 1.2688 1.2002 0.7955
PC(46:7)+H_1 0.7791 0.1355 0.8311 1.1066 0.5285 1.3482 1.8180 0.8830 1.6215 0.9485
PC(46:8)+H 1.2101 0.1678 0.6901 0.6658 0.9408 1.4252 1.7487 0.8342 0.9726 1.3448
PC(47:6)+H 0.4263 0.0990 0.9584 1.4243 0.5585 1.0079 2.1977 0.5486 2.2076 0.5717
PC(48:5)+H 0.9191 0.0789 0.8638 0.6425 0.6574 1.7064 1.1808 2.0255 1.0447 0.8808
PC(48:6)+H 0.8005 0.1712 1.1952 0.5726 0.6949 1.3843 1.7567 1.5177 0.9506 0.9562
PC(48:7)+H 1.3087 0.0622 0.7619 0.9180 0.3833 0.9329 1.9257 0.7441 1.4583 1.5050
PC(48:7)+H_1 0.7865 0.1173 1.4020 0.7025 0.6735 1.5074 1.5730 1.6341 1.0813 0.5223
PC(50:2)-CH3 0.4114 NA 1.5335 0.5636 0.3581 1.8568 1.4382 1.4279 1.0708 0.3398
PC(50:7)+H 0.8831 0.1775 1.2522 0.6076 0.6805 1.5244 1.4808 1.5788 0.7785 1.0366
PC(54:7)-CH3 0.4712 0.0446 2.1176 0.6613 0.2689 1.7885 1.6392 1.2256 1.4435 0.3395
PC(9:0_22:1)+H 1.0570 0.5657 1.0095 0.3335 2.3987 0.9005 1.0172 0.7016 0.4130 1.6034
PE(14:0_22:6)-H 1.4799 0.2444 0.8421 0.4964 0.9245 1.1944 1.4275 1.0019 0.7649 1.6240
PE(14:1e_22:6)-H 1.6183 0.2164 0.7000 0.3199 1.6607 0.5424 2.4593 0.2995 0.8358 1.3478
PE(15:0_22:6)-H 1.4454 0.1580 0.3801 0.2934 1.0760 0.9315 1.0385 1.5043 0.3357 2.8372
PE(16:0_16:0)-H 1.5529 0.2359 0.6608 0.3387 1.1895 1.4097 1.2060 1.0738 0.5485 1.7842
PE(16:0_16:0)+Na 0.7140 0.1199 1.0307 0.1341 2.4587 1.8794 0.2432 1.9333 0.2135 1.2732
PE(16:0_16:1)-H 1.3962 0.1891 0.7707 0.2943 1.2160 1.6264 1.0959 1.4012 0.4689 1.5413
PE(16:0_16:1)+Na 0.6524 0.0358 1.3369 0.2408 1.3077 2.4666 0.6072 2.3061 0.3255 0.7210
PE(16:0_17:0)-H 1.7505 0.0302 0.9319 0.4901 0.5920 1.7338 0.6823 1.4404 0.6385 1.7104
PE(16:0_18:1)+H 1.3699 0.2393 0.8518 0.2283 1.3588 1.5604 1.0408 1.3305 0.3669 1.6533
PE(16:0_18:1)-H 1.2507 0.1980 0.8635 0.3593 1.0000 1.7715 1.1448 1.3314 0.6239 1.4568
PE(16:0_18:1)-H_1 0.1092 0.0245 3.1580 0.4121 0.1810 2.7712 3.0159 0.1705 0.0513 0.1062
PE(16:0_18:2)+H 1.1192 0.3399 0.8174 0.2291 1.5206 1.5733 0.9053 1.3184 0.3193 1.8575
PE(16:0_18:2)-H 1.2609 0.1938 0.8578 0.3142 1.0180 1.7467 1.0542 1.4366 0.4589 1.6588
PE(16:0_18:2)+Na 1.5560 0.1332 0.8346 0.3729 1.0988 1.3452 1.1521 1.1942 0.4018 1.9112
PE(16:0_18:3)+H 0.7064 0.1186 1.0197 0.1326 2.4325 1.8594 0.3472 1.9127 0.2113 1.2596
PE(16:0_18:3)-H 1.1149 0.0323 0.9965 0.3576 0.7794 2.4271 1.1099 1.9930 0.4247 0.7646
PE(16:0_20:1)-H 1.4551 0.3351 0.8137 0.3469 1.2206 1.4689 1.1999 1.1172 0.4565 1.5861
PE(16:0_20:3)+Na 1.2843 0.3278 0.8783 0.2397 1.5610 1.2994 1.2212 1.0497 0.3730 1.7656
PE(16:0_20:4)+H 1.5067 0.2351 0.7822 0.2543 1.3913 1.2631 0.9340 1.2075 0.2458 2.1800
PE(16:0_20:4)-H 1.6236 0.1769 0.7183 0.3496 1.0630 1.5073 1.0505 1.3163 0.3509 1.8436
PE(16:0_20:5)+H 1.5680 0.1334 0.8419 0.3764 1.1136 1.3564 1.1559 1.1871 0.4054 1.8620
PE(16:0_20:5)-H 1.5018 0.1161 0.8695 0.4184 0.8448 1.5661 1.1017 1.4277 0.5582 1.5957
PE(16:0_20:5)-H_1 1.5411 0.0216 0.9644 0.7063 0.3082 1.5127 2.4582 1.5127 0.0573 0.9177
PE(16:0_22:6)+H 1.2387 0.3760 0.8482 0.2591 1.5681 1.3932 1.2533 1.0231 0.3731 1.6672
PE(16:0_22:6)-H 1.3212 0.1663 0.4603 0.7204 0.7412 1.2302 2.9649 0.9103 0.7750 0.7100
PE(16:0_22:6)-H_1 1.3207 0.2670 0.8127 0.3606 1.1610 1.4222 1.4658 1.1683 0.5558 1.4658
PE(16:0e_22:5)-H 2.1878 0.1310 0.8324 0.3550 0.9644 0.8660 1.2090 2.0606 0.5326 0.8612
PE(16:0e_22:6)-H 1.3265 0.2270 0.9606 0.5291 1.1220 1.3527 1.2871 1.4709 0.4765 1.2477
PE(16:0e)+H 0.9849 0.1063 0.2525 0.6789 0.9919 0.5452 1.3049 1.6250 1.0165 2.4938
PE(16:0p_18:1)+H 0.9943 0.1102 1.2819 0.5167 0.6873 1.5061 1.1747 1.7547 0.7799 1.1942
PE(16:0p_20:4)+H 1.6569 0.2525 0.8578 0.5396 1.2003 1.4113 0.7887 1.3871 0.3251 1.5808
PE(16:0p_20:5)+H 1.3184 0.1745 0.9856 0.4104 1.7066 1.4336 0.7125 1.5104 0.3272 1.4208
PE(16:0p_22:4)+H 1.7444 0.3272 0.5574 0.6689 1.2283 1.5277 0.9228 0.8154 0.5770 1.6309
PE(16:0p_22:5)+H 1.5077 0.1540 1.0525 0.5547 0.6720 1.4472 1.0419 1.4401 0.5263 1.6037
PE(16:0p_22:6)+H 1.3199 0.2099 1.0574 0.4438 1.2195 1.2890 1.1192 1.3199 0.4932 1.5282
PE(16:1_18:1)-H 1.4853 0.2091 0.6594 0.6092 1.4036 1.0551 1.2843 1.0111 0.5307 1.7522
PE(16:1_18:1)+Na 0.5762 0.0388 1.5720 0.1078 1.7392 2.6888 0.2650 2.8310 0.0192 0.1622
PE(16:1_18:3)-H 0.9781 0.0284 1.2408 0.2463 1.0935 2.4363 0.4927 2.2642 0.4601 0.7597
PE(16:1_18:3)+Na 0.2884 NA 1.5191 0.1962 0.8559 2.3673 0.2664 2.9958 0.2745 0.2363
PE(16:1_20:5)-H 1.8088 NA 0.7622 0.3493 0.5414 1.3393 0.9555 1.6707 0.5385 1.0342
PE(16:1_22:6)+H 1.4948 0.0901 0.8116 0.5044 0.6493 1.7975 1.6416 0.9629 0.7181 1.3298
PE(16:1_22:6)-H 1.1799 0.0952 0.8263 0.4541 0.7296 1.5187 1.7606 1.1762 0.9157 1.3437
PE(16:1e_16:0)-H 0.9959 0.1271 1.1794 0.5589 0.8040 1.4131 1.2673 1.5485 0.9263 1.1795
PE(16:1e_17:0)-H 1.1972 NA 1.0893 0.5939 0.5236 1.2623 0.9241 1.4037 0.8352 1.1707
PE(16:1e_17:1)-H 1.2676 0.3081 1.2989 0.6256 0.7739 1.4558 1.0605 1.8198 0.4173 0.9726
PE(16:1e_18:1)-H 1.0488 0.1303 1.0691 0.6008 0.6771 1.5579 1.3237 1.6801 0.7922 1.1200
PE(16:1e_18:2)-H 1.7080 0.3008 0.9749 0.2082 0.7093 1.4584 1.0607 2.1291 0.2262 1.2244
PE(16:1e_20:4)-H 1.5271 0.1874 0.8561 0.7605 0.8638 1.5502 0.9024 1.4422 0.4836 1.4268
PE(16:1e_20:5)-H 1.5181 0.1443 1.0371 0.5404 0.8417 1.6008 0.9995 1.5782 0.4472 1.2926
PE(16:1e_22:4)-H 1.3285 0.1811 0.8185 0.8218 0.7795 1.4194 1.3415 1.1920 0.8250 1.2927
PE(16:1e_22:6)-H 1.3910 0.1625 1.0311 0.6044 0.8565 1.4655 1.2134 1.3151 0.6469 1.3136
PE(16:2e_22:6)-H 1.9477 0.0911 0.4881 0.5205 0.8911 0.8519 2.0709 0.6425 0.8843 1.6119
PE(17:0_18:1)-H 1.1705 0.0769 1.1243 0.3965 0.8440 1.8951 0.9778 1.6722 0.5988 1.2438
PE(17:0_18:1)-H_1 1.3875 0.1309 0.8731 0.4591 0.8133 1.5003 1.3649 1.1957 0.7975 1.4777
PE(17:0_18:1)+Na 2.1229 0.1445 0.5671 0.4105 0.9084 0.9385 1.1743 0.9234 0.4015 2.4089
PE(17:0_18:2)-H 0.9013 0.0486 1.2044 0.2792 1.1406 2.0579 0.6716 1.4469 0.4467 1.8027
PE(17:0_18:3)-H 1.2867 0.0274 0.8773 0.3355 0.9198 1.9991 1.0261 1.7545 0.4285 1.3451
PE(17:0_18:3)-H_1 0.8210 0.0384 1.2199 0.2341 1.3881 2.4531 0.5737 2.2552 0.2944 0.7221
PE(17:0_20:3)-H 1.4539 1.9199 0.7922 0.2078 1.5595 0.3417 1.0687 1.0221 0.3355 1.2986
PE(17:0_20:3)+Na 1.5175 0.2787 0.6594 0.3256 1.3078 1.0277 1.3933 0.8111 0.4718 2.2072
PE(17:0_20:4)+H 2.1296 0.1450 0.5689 0.4048 0.9112 0.9213 1.1781 0.9263 0.4033 2.4115
PE(17:0_20:4)-H 1.9279 0.0835 0.8193 0.6345 0.5130 1.2180 1.0478 1.0867 0.5956 2.0737
PE(17:0_20:4)-H_1 2.0529 0.1335 0.5882 0.5743 0.7746 1.0050 1.3350 0.8967 0.5743 2.0655
PE(17:0_20:5)-H 1.8377 0.0565 0.6556 0.5007 0.6437 1.1026 1.4722 1.2238 0.6218 1.8854
PE(17:0_22:6)+H 1.4031 0.1872 0.9523 0.3289 1.0581 1.2812 1.1961 1.0029 0.5222 2.0679
PE(17:0_22:6)-H 1.4848 0.1098 0.7301 0.3988 0.7240 1.4357 1.3743 1.0614 0.6688 2.0124
PE(17:0_22:6)+H_1 1.5175 0.2787 0.6594 0.3256 1.3078 1.0277 1.3933 0.8111 0.4718 2.2072
PE(17:0_22:6)-H_1 1.5593 0.2326 0.6100 0.4117 1.0408 1.0865 1.6432 0.8540 0.6138 1.9482
PE(17:1_16:0)-H 1.1915 0.1295 0.7897 0.2785 0.7897 1.9350 1.0760 1.2608 0.5126 2.0366
PE(17:1_20:4)+H 1.5868 0.0024 0.9619 0.3831 0.9702 1.3895 0.9126 1.3895 0.4226 1.9814
PE(17:1_20:4)-H 1.6780 0.0883 0.7842 0.6061 0.2340 1.6164 1.3047 1.9246 0.4794 1.2842
PE(17:1_22:6)-H 1.4960 0.0590 0.7258 0.5184 0.2095 1.4170 1.7725 1.3923 0.8542 1.5553
PE(18:0_16:0)-H 1.3543 0.2275 0.7092 0.4247 1.0766 1.4141 1.1706 1.1322 0.8032 1.6876
PE(18:0_17:0)-H 1.4682 0.0306 1.0226 0.5549 0.6871 1.8097 0.9544 1.4734 0.7205 1.2787
PE(18:0_18:0)+Na 1.3170 0.1613 0.9867 0.4954 1.0132 1.3517 1.2905 1.3170 0.6198 1.4475
PE(18:0_18:1)+H 1.1094 0.1391 0.9686 0.4479 0.9190 1.5316 1.3412 1.5730 0.7203 1.2501
PE(18:0_18:1)-H 0.1021 0.0609 0.2358 0.0732 0.2299 0.1777 0.0652 5.6095 3.3530 0.0926
PE(18:0_18:1)-H_1 1.1158 0.1626 0.9251 0.5072 0.8972 1.6509 1.4131 1.3081 0.8622 1.1577
PE(18:0_18:1)+Na 1.4496 0.2667 0.7202 0.2377 1.4264 1.2873 1.1945 1.3916 0.3676 1.6584
PE(18:0_18:1)+Na_1 1.5897 0.2446 0.6905 0.4368 1.2953 1.1508 1.1294 1.0598 0.3854 2.0179
PE(18:0_18:2)-H 1.2618 0.2873 0.9515 0.3861 1.1101 1.6847 1.0940 1.3399 0.5447 1.3399
PE(18:0_18:3)+H 1.2514 0.1017 1.0007 0.3041 1.1014 1.7692 1.0048 1.7158 0.4130 1.3377
PE(18:0_18:3)-H 1.1689 0.0865 0.9748 0.3642 0.9663 1.8567 1.0423 1.7639 0.5739 1.2026
PE(18:0_20:2)+Na 1.3051 0.3308 0.6856 0.4048 1.8705 0.7458 2.0569 0.7337 0.5738 1.2931
PE(18:0_20:3)-H 1.3767 0.1839 0.9543 0.5716 0.9095 1.4066 1.3469 1.2674 0.7406 1.2425
PE(18:0_20:3)+Na 1.3241 0.6218 0.7269 0.2393 2.0309 1.0691 1.0557 0.7962 0.3019 1.8340
PE(18:0_20:4)+H 1.6068 0.2499 0.6782 0.4257 1.3407 1.1216 1.1164 1.0434 0.3777 2.0398
PE(18:0_20:4)-H 0.0570 0.2337 1.1193 0.9679 1.4296 1.6180 1.7917 1.7326 0.9679 0.0823
PE(18:0_20:4)-H_1 1.7021 0.2273 0.6840 0.5605 1.0586 1.2039 1.2455 1.0794 0.5573 1.6814
PE(18:0_20:4)+Na 1.4155 0.8036 0.3446 0.2142 2.4799 0.7778 0.8374 0.7053 0.1351 2.2867
PE(18:0_20:5)+H 1.3866 0.2359 0.7847 0.3633 1.4081 1.1877 1.2683 1.1394 0.4686 1.7574
PE(18:0_20:5)-H 1.4392 0.2300 0.7286 0.4973 1.0807 1.2670 1.4264 1.1668 0.6348 1.5292
PE(18:0_21:0)-H 2.0805 0.1587 0.4408 0.4143 1.0244 0.6089 1.6189 0.7250 0.7430 2.1854
PE(18:0_22:4)-H 1.4782 0.2229 0.5321 0.5997 0.8911 1.7400 1.2501 1.2966 0.7475 1.2417
PE(18:0_22:5)+H 1.2478 0.3389 0.6321 0.3700 2.0325 0.6975 2.1741 0.6757 0.5128 1.3187
PE(18:0_22:5)-H 1.2109 0.4374 0.8213 0.3543 1.5019 1.3751 1.2109 1.0607 0.5397 1.4878
PE(18:0_22:5)-H_1 1.2824 0.4423 0.6036 0.4608 1.8123 0.7526 2.0888 0.6666 0.6712 1.2195
PE(18:0_22:5)-H_2 1.2925 0.2201 0.9136 0.7396 0.7270 1.5877 1.2730 1.3844 0.7549 1.1072
PE(18:0_22:5)+Na 1.3130 0.6885 0.4358 0.1390 2.9791 0.5660 1.3351 0.5528 0.1699 1.8206
PE(18:0_22:6)+H 1.3241 0.6218 0.7269 0.2393 2.0309 1.0691 1.0557 0.7962 0.3019 1.8340
PE(18:0_22:6)-H 1.0980 0.2870 0.8409 0.4566 1.1605 1.4663 1.5497 0.9729 0.8617 1.3065
PE(18:0_22:6)-H_1 1.2887 0.3816 0.8426 0.3829 1.3754 1.3919 1.3754 1.0037 0.5411 1.4167
PE(18:0_22:6)+Na 1.0159 1.5806 0.4822 0.0937 3.0580 0.8819 0.7021 0.5051 0.0885 1.5920
PE(18:0e_16:0)-H 1.1868 0.1230 1.3124 0.9928 0.7646 1.4265 1.1925 1.3580 0.6733 0.9700
PE(18:0e_18:1)-H 1.0596 0.1045 1.3149 0.8181 0.6653 1.5216 1.1586 1.6223 0.7782 0.9571
PE(18:0e_18:2)-H 1.1545 0.2273 1.1288 0.5336 1.0168 1.3169 1.2571 1.3255 0.7312 1.3084
PE(18:0e_20:4)-H 1.7726 0.1694 1.0720 0.9743 0.6940 1.0199 1.3588 1.4989 0.4692 0.9710
PE(18:0e_20:5)-H 1.4504 0.3408 0.6997 0.4709 1.5163 1.1706 1.2677 1.0191 0.5268 1.5377
PE(18:0e_22:4)-H 1.5371 0.1374 0.8194 1.0116 0.8872 1.1528 1.6502 1.2207 0.9890 0.5946
PE(18:0e_22:5)-H 1.3638 0.1171 0.8427 1.2518 0.6194 1.2017 0.7977 2.3030 0.5905 0.9123
PE(18:0e_22:6)-H 1.1155 0.1985 1.1168 0.7238 1.2068 1.4027 1.3008 1.2399 0.6563 1.0388
PE(18:0e_22:6)-H_1 1.5642 0.2725 1.2072 0.0957 1.2127 1.9894 1.0955 1.4389 0.1537 0.9702
PE(18:0p_16:0)+H 1.0441 0.1001 1.2958 0.4946 0.4963 1.3879 1.5829 1.8080 1.0104 0.7799
PE(18:0p_17:1)+H 0.0509 0.1548 0.6100 0.3389 1.3303 1.0702 3.5464 0.7156 1.7811 0.4019
PE(18:0p_18:1)+H 0.6669 0.0531 1.3383 0.5787 0.4567 1.8085 1.6458 1.6819 1.1168 0.6533
PE(18:0p_18:2)+H 1.4317 0.1631 1.1689 0.3289 1.2142 1.4951 1.2686 0.6180 0.6171 1.6945
PE(18:0p_20:4)+H 1.3602 0.1202 0.8897 0.7034 0.7849 1.5698 1.3182 1.3648 0.5869 1.3019
PE(18:0p_20:5)+H 1.4380 0.2805 0.8338 0.4539 1.5783 1.0913 1.3004 0.9893 0.4335 1.6012
PE(18:0p_22:4)+H 1.7615 0.0774 0.9740 0.8359 0.5554 1.1260 0.9740 1.1951 0.8082 1.6925
PE(18:0p_22:5)+H 1.1126 0.1004 0.8492 0.8356 0.4632 1.4305 1.8619 1.3760 0.8628 1.1080
PE(18:0p_22:5)+H_1 1.3737 0.3280 0.7177 0.4682 1.7606 0.8523 1.9680 0.6364 0.5887 1.3064
PE(18:0p_22:6)+H 1.2312 0.2290 0.9958 0.4192 1.1543 1.4575 1.5119 1.0864 0.6201 1.2946
PE(18:1_18:1)+H 0.4875 0.0566 1.4404 0.1096 1.7197 2.3665 0.4528 2.1614 0.2335 0.9719
PE(18:1_18:1)-H 0.7867 0.0604 1.5348 0.1910 1.4866 2.4981 0.7995 2.1160 0.4559 0.0710
PE(18:1_18:1)+Na 1.7358 0.1753 0.6690 0.2865 1.2100 1.3515 0.9724 1.2959 0.3151 1.9885
PE(18:1_18:1)+Na_1 1.3932 0.2356 0.7702 0.3477 1.4045 1.1780 1.2516 1.1497 0.4457 1.8236
PE(18:1_18:2)+H 1.1892 0.2320 0.9521 0.1646 1.5845 1.6395 0.6668 1.5776 0.2578 1.7358
PE(18:1_18:2)-H 1.2112 0.1291 0.9815 0.2440 1.2530 1.9560 0.7622 1.8342 0.3515 1.2773
PE(18:1_18:2)+Na 1.6852 0.1755 0.8482 0.2682 1.2526 1.5588 0.7738 1.4605 0.2781 1.6992
PE(18:1_18:3)+H 0.8845 0.1801 1.2330 0.0833 2.1559 2.0230 0.2968 1.9344 0.1237 1.0853
PE(18:1_18:3)-H 0.8844 0.0400 1.2351 0.2436 0.7619 2.7309 0.7556 2.4206 0.2886 0.6393
PE(18:1_20:4)-H 1.8866 0.1416 0.5922 0.3197 0.8511 1.5689 0.9923 1.3335 0.3765 1.9376
PE(18:1_20:5)+H 1.6317 0.1418 0.8453 0.2902 1.2064 1.5381 0.8332 1.4311 0.3036 1.7788
PE(18:1_20:5)-H 1.5603 0.1316 0.7853 0.3823 1.0161 1.6189 0.9128 1.6568 0.4340 1.5018
PE(18:1_21:0)-H 1.5011 0.0769 0.7506 0.9048 0.6057 1.2547 1.4089 1.1136 0.8672 1.5166
PE(18:1_22:1)-H 1.3505 0.2034 0.7176 0.5613 1.0473 1.4805 1.4692 1.2206 0.5048 1.4447
PE(18:1_22:5)+H 1.5233 0.2962 0.6045 0.2781 1.5857 0.7395 1.6482 0.8201 0.4090 2.0955
PE(18:1_22:5)-H 1.6724 0.2881 0.4028 0.3896 1.3091 0.7078 2.0983 0.6389 0.6953 1.7977
PE(18:1_22:5)-H_1 1.2927 0.3456 0.7669 0.4649 1.2256 1.2803 1.5040 0.8838 0.6327 1.6035
PE(18:1_22:6)+H 1.3672 0.2615 0.7733 0.2954 1.3712 1.1839 1.2995 1.0842 0.4704 1.8934
PE(18:1_22:6)-H 1.3842 0.1966 0.7432 0.4183 0.9248 1.4042 1.5848 1.1334 0.6459 1.5647
PE(18:1_22:6)+Na 1.7873 0.1662 0.7906 0.4540 1.0880 1.2472 1.2393 1.2941 0.4540 1.4794
PE(18:1_24:0)-H 0.5663 0.0887 0.8849 0.7185 0.6106 2.0892 1.7835 1.2043 1.3198 0.7342
PE(18:1_24:1)-H 1.0120 0.1615 0.9436 0.6072 0.8889 1.7710 1.2650 1.2855 0.8479 1.2172
PE(18:1_24:2)-H 0.7707 0.0941 0.9308 0.7208 0.3735 1.7961 1.6593 1.4145 1.2681 0.9721
PE(18:1D7_15:0)+H 1.0502 1.6776 0.4279 0.0675 2.8411 0.7932 0.5327 0.5970 0.0849 1.9279
PE(18:1D7_15:0)-H 1.0806 1.6096 0.4645 0.1084 2.5450 0.9128 0.6742 0.6419 0.1471 1.8160
PE(18:1e_16:0)-H 0.7705 0.1054 1.0484 0.4742 0.7298 1.3669 1.7596 1.3410 1.4781 0.9261
PE(18:1e_16:1)-H 0.8145 0.1666 1.3451 0.4999 0.7395 1.8457 1.1582 1.8233 0.8743 0.7329
PE(18:1e_17:0)-H 1.0000 0.0310 1.2777 0.6659 0.4839 1.5902 1.3402 1.5763 1.1805 0.8541
PE(18:1e_17:1)-H 1.4522 0.1237 1.3789 0.1688 0.7925 0.3764 1.5849 2.6943 1.1847 0.2437
PE(18:1e_18:1)-H 0.6221 0.0781 1.2149 0.6514 0.5787 1.6668 1.7724 1.3733 1.3616 0.6808
PE(18:1e_18:1)-H_1 1.2080 0.2599 1.1521 0.5883 1.3067 1.6330 1.0313 1.1185 0.6465 1.0558
PE(18:1e_18:2)-H 1.3034 0.1491 2.3986 0.2008 0.5820 1.5581 1.3666 0.7605 0.7791 0.9018
PE(18:1e_18:3)-H 1.5465 0.0131 1.4288 0.1664 0.0776 0.9245 1.8435 2.1404 1.3168 0.5423
PE(18:1e_20:1)-H 0.6639 0.0366 1.4415 0.6449 0.4163 1.9473 1.4921 1.3910 1.2329 0.7334
PE(18:1e_20:3)-H 0.8297 0.0243 1.2022 0.5814 0.4651 1.6538 1.8062 1.4901 1.1684 0.7789
PE(18:1e_20:4)-H 1.3776 0.1446 0.7921 0.8036 0.7749 1.6072 1.2800 1.3316 0.6716 1.2169
PE(18:1e_20:5)-H 1.4922 0.2363 0.8658 0.5803 1.1330 1.3126 1.4093 1.1514 0.5987 1.2205
PE(18:1e_20:5)-H_1 1.7371 0.1755 0.3162 0.9037 0.9216 0.2136 2.6567 0.2405 1.0752 1.7598
PE(18:1e_22:2)-H 0.9637 NA 0.8279 0.6581 0.2709 1.5925 1.4285 1.2061 1.1475 0.9049
PE(18:1e_22:3)-H 0.9102 NA 0.8477 0.8992 0.2589 1.2885 1.4818 1.2517 1.1413 0.9208
PE(18:1e_22:4)-H 1.2200 0.4509 0.6564 0.6697 1.7770 0.9044 1.6974 0.8474 0.6657 1.1113
PE(18:1e_22:5)-H 1.3484 0.3397 0.6874 0.5123 1.5203 0.9254 2.1151 0.6940 0.7271 1.1303
PE(18:1e_22:5)-H_1 1.2688 0.0736 0.9093 0.8322 0.5299 1.6420 1.2937 1.3310 0.8956 1.2240
PE(18:1e_22:6)-H 1.2244 0.2302 0.9125 0.5243 0.9920 1.5174 1.5802 1.0465 0.8215 1.1511
PE(18:1e)+H 0.2783 0.0204 1.2557 0.0584 0.9452 6.3633 0.2511 0.7195 0.0886 0.0196
PE(18:1p_18:1)+H 0.6424 0.0494 1.4580 0.5124 0.7983 1.9632 1.5301 1.8621 1.1014 0.0827
PE(18:1p_20:5)+H 1.7220 0.1828 0.9308 0.3457 0.8776 1.3962 0.7978 1.3363 0.3963 2.0145
PE(18:1p_22:5)+H 1.2590 0.3168 0.7578 0.3467 1.6648 0.8592 1.6827 0.8055 0.5233 1.7841
PE(18:1p_22:6)+H 1.1133 0.1888 0.9958 0.3469 1.0699 1.4685 1.3580 1.2280 0.5524 1.6783
PE(18:2_18:2)+Na 1.6366 0.0652 0.8901 0.5002 0.7285 1.5032 1.0543 1.5647 0.5849 1.4724
PE(18:2_18:2)+Na_1 1.4948 0.0901 0.8116 0.5044 0.6493 1.7975 1.6416 0.9629 0.7181 1.3298
PE(18:2_20:4)+Na 1.4413 0.0371 0.9058 0.6011 0.4183 1.6288 1.3828 1.6874 0.7757 1.1214
PE(18:2_22:6)+H 1.2881 0.1537 0.9438 0.4915 0.9735 1.4365 1.4721 1.1634 0.7301 1.3474
PE(18:2_22:6)-H 1.3085 0.2202 0.8385 0.5186 0.9599 1.4211 1.4829 1.1276 0.8429 1.2798
PE(18:2_22:6)+Na 1.3875 0.1003 1.1348 0.5435 0.6564 1.5210 1.3493 1.4431 0.7025 1.1618
PE(18:2e_18:1)-H 0.7385 0.0599 1.0760 0.5280 0.3862 2.0017 1.3200 1.5171 1.5038 0.8688
PE(18:2e_18:3)-H 2.0506 0.1111 0.6840 0.6639 1.2276 1.4770 1.1314 1.2346 0.4316 0.9881
PE(18:2e_20:4)-H 1.6033 0.0810 0.8337 0.6077 0.6173 1.4510 1.0422 1.5071 0.6774 1.5793
PE(18:2e_20:5)-H 1.4481 0.1124 0.8555 0.4527 0.5634 1.5698 1.4968 1.4238 0.5196 1.5577
PE(18:2e_22:6)-H 2.1494 NA 0.0957 0.6614 0.1047 0.2331 3.5754 0.0598 0.3329 1.7876
PE(18:2e_22:6)-H_1 1.1502 0.1683 0.9433 0.4686 0.8307 1.5945 1.4515 1.2963 0.7577 1.3389
PE(18:2p_22:6)+H 1.0750 0.4111 0.9522 0.2809 1.7448 1.2347 1.2761 1.0410 0.3430 1.6413
PE(18:3_18:2)-H 0.0920 NA 0.8069 1.5921 NA 0.8577 0.3936 0.1845 3.0731 NA
PE(18:3_18:2)-H_1 1.2808 0.0538 0.8551 0.3424 0.8514 1.9618 0.9476 1.9618 0.5053 1.2400
PE(18:3_18:2)-H_2 0.2302 NA 0.6635 0.1538 NA 2.9429 0.2665 0.1946 3.5483 0.0000
PE(18:3_18:2)-H_3 0.0542 NA 0.5369 0.2205 0.9764 2.8231 0.5179 2.3683 1.2312 0.2715
PE(18:3_18:2)+Na 1.5332 0.0137 0.8745 0.5326 0.3339 1.6581 1.2834 2.0329 0.7155 1.0221
PE(18:3_18:3)+H 1.0244 0.0159 1.1550 0.2240 0.8477 2.3702 0.5715 2.6916 0.3626 0.7372
PE(18:3_18:3)-H 1.1229 0.0280 1.1517 0.2527 1.0813 2.3642 0.5311 2.4346 0.3583 0.6750
PE(18:3_20:4)-H 1.5052 0.0000 0.7036 0.3631 0.3262 1.8833 1.0200 2.2449 0.7865 1.1672
PE(18:3_20:5)+H 1.5474 0.0143 0.8422 0.5175 0.3156 1.6489 1.2633 1.9990 0.8016 1.0502
PE(18:3_20:5)-H 1.7098 0.0215 0.7813 0.5747 0.4274 1.7637 1.1099 1.7547 0.7759 1.0812
PE(18:3_21:0)-H 1.0212 0.1868 0.6509 0.7255 1.4652 2.5841 1.0923 0.9324 0.7015 0.6399
PE(18:3_22:6)+H 1.3952 0.0354 0.8686 0.5975 0.4017 1.5752 1.6203 1.6203 0.8090 1.0768
PE(18:3_22:6)-H 1.5467 0.0520 0.8249 0.6383 0.4910 1.3945 1.5025 1.5123 0.8445 1.1932
PE(18:3_22:6)-H_1 0.6138 NA 0.1405 0.3339 0.5464 1.5733 2.7142 0.0609 1.9790 1.0381
PE(18:3e_20:5)-H 1.2010 0.0857 1.1137 0.4345 0.8754 1.8015 1.1464 1.7469 0.5590 1.0358
PE(18:3e_22:6)-H 1.3245 0.1464 1.0488 0.2288 0.8830 1.7903 0.9488 1.4830 0.7074 1.4391
PE(18:4_16:0)+H 0.6926 0.0379 1.2682 0.2657 1.3673 2.4234 0.6279 2.2169 0.3470 0.7532
PE(18:4_16:0)-H 0.7370 0.0612 1.1054 0.3114 1.2644 2.4204 0.6719 2.2723 0.4046 0.7514
PE(18:4_17:0)-H 1.7307 0.0159 0.8558 0.4247 0.5127 1.8201 1.3156 1.6029 0.4317 1.2900
PE(18:4_18:1)+H 0.4197 0.0427 1.5881 0.1074 1.8717 2.5940 0.3014 2.7263 0.1376 0.2110
PE(18:4_18:1)-H 0.4315 0.0410 1.5542 0.1380 1.7173 2.6846 0.2663 2.6955 0.1576 0.3141
PE(18:4_18:3)+H 0.3197 NA 1.4888 0.2057 0.8539 2.4021 0.2669 2.9479 0.2829 0.2322
PE(18:4_18:3)-H 0.4191 NA 1.2685 0.2088 0.9432 2.5370 0.2584 2.7127 0.2937 0.3586
PE(18:4_20:5)-H 1.1417 NA 0.6652 0.7026 NA 1.2747 0.9052 1.8096 0.7188 0.7823
PE(18:4e)+H 0.0817 NA 1.6037 0.0291 0.9038 3.1463 0.0310 3.1327 0.0574 0.0143
PE(19:0_18:1)-H 1.4125 0.2048 0.7231 0.5171 1.0005 1.4251 1.3242 0.9795 0.8030 1.6101
PE(19:0_18:2)-H 1.0746 0.2503 0.6931 0.7164 0.7787 1.2226 1.1603 1.0357 1.0123 2.0558
PE(19:0_18:2)-H_1 1.5837 0.0324 1.1800 0.2802 1.1722 2.0883 1.3818 1.6380 0.5364 0.1069
PE(19:0_20:4)-H 1.5585 0.1949 0.6201 0.9440 0.8249 0.9661 1.2596 0.8443 0.6450 2.1426
PE(19:0_22:6)-H 1.0736 0.3853 0.7308 0.6830 1.3686 1.0922 1.8390 0.7494 1.0231 1.0550
PE(20:0_18:1)-H 1.3287 0.2719 0.8742 0.4855 1.1809 1.4364 1.3159 1.1389 0.6698 1.2977
PE(20:0_22:5)-H 1.2126 0.6831 0.4284 0.5825 1.4629 0.6178 2.5820 0.5972 0.8315 1.0021
PE(20:0_22:6)-H 1.1322 0.4169 0.7227 0.6759 1.1199 1.1766 1.7514 0.8387 1.0656 1.1001
PE(20:1_18:1)-H 1.4457 0.2524 0.7549 0.4384 1.2062 1.3623 1.2489 1.1677 0.5582 1.5654
PE(20:1_18:1)-H_1 1.2005 0.1581 0.9245 0.5745 0.9872 1.4927 1.3171 1.3798 0.7815 1.1841
PE(20:1_18:2)-H 1.8797 0.2280 0.8663 0.6162 1.0624 1.5446 1.5283 1.3730 0.6783 0.2231
PE(20:1_22:6)+H 1.3893 0.4640 0.8249 0.2849 1.5087 1.0745 1.3947 0.9009 0.4108 1.7474
PE(20:1_22:6)-H 1.1886 0.4473 0.7984 0.5322 1.3469 1.3159 1.5461 0.9127 0.7314 1.1804
PE(20:1e_16:0)-H 0.7077 NA 1.6866 0.4643 0.4381 1.2797 1.5785 0.9573 1.0619 0.8259
PE(20:1e_20:4)-H 0.9488 0.1505 0.8352 0.8598 0.6470 1.9094 1.5111 1.0484 0.7778 1.3120
PE(20:1e_22:6)-H 0.9352 0.1642 0.9458 0.7198 0.6830 1.4817 1.9703 0.8827 1.3661 0.8512
PE(20:2e_18:1)-H 0.8980 0.0096 1.1655 0.7005 0.3675 1.7323 1.4775 1.4393 1.1655 1.0445
PE(20:2e_22:6)-H 0.8833 0.1713 0.9093 0.6348 0.8453 1.4116 1.9919 0.9093 1.1605 1.0825
PE(20:3_18:2)+Na 1.2929 0.1543 0.9414 0.4915 0.9771 1.4418 1.4657 1.1618 0.7269 1.3465
PE(20:3_20:3)+Na 1.5814 0.1040 0.7880 0.4557 0.6701 1.1231 1.5466 1.3375 0.7425 1.6511
PE(20:3_22:6)+H 1.5814 0.1040 0.7880 0.4557 0.6701 1.1231 1.5466 1.3375 0.7425 1.6511
PE(20:3_22:6)-H 1.5759 0.1356 0.7185 0.4618 0.7979 1.2123 1.8074 1.1792 0.8331 1.2784
PE(20:3e)+Na 0.4571 0.0895 3.1295 0.6893 0.3335 1.4895 0.8794 1.1409 1.1963 0.5950
PE(20:4_22:6)+H 1.7109 0.1609 0.8094 0.4981 1.0999 1.2060 1.2290 1.2728 0.4450 1.5680
PE(20:4_22:6)-H 1.3567 0.0576 0.7780 0.4674 0.5565 1.5157 1.5157 1.5475 1.0706 1.1342
PE(20:4_22:6)+H_1 1.5658 0.0481 0.8724 0.3870 0.5212 1.4584 1.4517 1.6419 0.8276 1.2258
PE(20:4_22:6)-H_1 1.6564 0.2212 0.7389 0.5356 1.0514 1.3192 1.3291 1.2993 0.4999 1.3489
PE(20:5_18:2)-H 1.6764 0.0995 0.7780 0.5763 0.8408 1.5105 1.1089 1.4581 0.6592 1.2922
PE(20:5_18:2)+Na 1.3159 0.0550 0.9376 0.7693 0.3479 1.6069 1.3918 1.6702 1.0578 0.8477
PE(20:5_20:5)+H 1.3132 0.0549 0.9104 0.7677 0.3952 1.6036 1.3890 1.6668 1.0531 0.8460
PE(20:5_20:5)-H 1.5195 0.0429 0.8746 0.6493 0.5087 1.5725 1.3782 1.5195 0.8172 1.1176
PE(20:5_22:6)+H 1.3875 0.1003 1.1348 0.5435 0.6564 1.5210 1.3493 1.4431 0.7025 1.1618
PE(20:5_22:6)-H 1.4221 0.1588 1.0395 0.5631 0.8085 1.4582 1.2921 1.2921 0.7168 1.2488
PE(20:5e)+H 0.7186 0.3722 2.1945 0.3636 1.1446 1.6695 0.6713 1.5577 0.4518 0.8563
PE(22:0_22:6)-H 0.8094 0.1082 0.6867 0.9463 0.7452 1.3408 2.0346 0.7851 1.7323 0.8115
PE(22:1_18:2)-H 1.1205 0.1754 0.9535 0.6514 0.9048 1.6286 1.4477 1.4198 0.9953 0.7030
PE(22:1_22:6)-H 0.8094 0.3230 0.8293 0.9182 0.8443 1.4502 1.6033 0.9809 1.3832 0.8581
PE(22:2_22:6)+Na 1.2727 0.3345 0.8669 0.3769 1.0698 1.2296 1.2358 1.1682 0.5152 1.9305
PE(22:3_20:4)+Na 1.0747 0.2565 0.6008 0.2887 0.9086 2.1250 1.0454 0.8598 0.3297 2.5109
PE(22:3_22:6)+Na 1.1070 0.1797 1.0118 0.3925 0.9255 1.5471 1.4972 1.2840 0.6261 1.4292
PE(22:4_22:6)+H 1.2541 0.2919 0.6811 0.3449 1.0486 0.9189 1.1622 0.9730 0.3795 2.9459
PE(22:4_22:6)-H 1.0936 0.4805 0.8113 0.4748 1.9402 0.9383 1.0865 1.2911 0.8396 1.0442
PE(22:5_18:2)+Na 1.5048 0.0451 0.8970 0.4093 0.4852 1.4729 1.4459 1.6003 0.8406 1.2989
PE(22:5_22:5)-H 0.7871 0.2647 0.5528 0.6395 0.5458 0.4698 4.7654 0.5854 0.6395 0.7502
PE(22:5_22:6)+H 1.1852 0.6008 0.6811 0.2737 2.4074 0.7613 1.7263 0.7407 0.3477 1.2757
PE(22:5_22:6)-H 1.1773 0.6825 0.6612 0.3656 2.0182 0.8524 1.9120 0.7267 0.5152 1.0888
PE(22:5_22:6)+H_1 1.3382 0.1268 1.0056 0.4706 0.8860 1.4854 1.3551 1.3980 0.6070 1.3275
PE(22:5_22:6)-H_1 1.3074 0.2229 0.9372 0.5552 0.8270 1.5043 1.3940 1.4492 0.6844 1.1184
PE(22:6_22:6)+H 1.1245 0.2584 1.1390 0.3512 1.2154 1.4483 1.5156 1.2027 0.5222 1.2227
PE(22:6_22:6)-H 1.0930 0.3806 0.9684 0.4113 1.2368 1.3902 1.5149 1.1985 0.6462 1.1601
PE(22:6_22:6)-H_1 0.2498 0.0157 0.0038 0.1873 0.1035 8.4054 0.1294 0.1923 0.5335 0.1792
PE(24:1_22:6)-H 0.4421 0.3008 0.8012 1.0992 0.2664 1.6029 1.6225 1.1498 1.9691 0.7460
PE(26:0_18:1)-H 0.4079 NA 0.8418 0.6118 0.4552 1.9072 1.7323 1.1236 1.5433 0.3770
PE(28:1_18:1)-H 0.3422 NA 0.8374 0.5961 NA 1.7626 1.4372 1.3824 1.4961 0.1461
PE(35:2e)+H 2.1987 0.0360 1.0935 1.5580 0.3436 1.3425 0.8576 1.1649 0.7120 0.6931
PE(35:4)-H 0.3763 NA 1.3755 1.2580 NA 0.9629 1.2408 0.1842 2.5791 0.0233
PE(35:4)-H_1 0.4741 NA 1.3646 0.5448 NA 1.0224 0.8618 0.6893 2.0430 NA
PE(36:2)+H 1.2574 0.2620 0.9129 0.4184 1.1940 1.4265 1.1623 1.3314 0.4396 1.5955
PE(38:3)+H 1.3155 0.1697 0.9728 0.4732 1.0320 1.3644 1.2522 1.2808 0.5996 1.5398
PE(38:3)+Na 0.0767 0.0586 1.6577 0.7467 0.0565 2.2091 2.1509 1.9351 1.0138 0.0949
PE(38:6e)+H 1.3800 0.1921 1.1130 0.3948 1.2409 1.3499 1.1243 1.4289 0.3734 1.4026
PE(38:6)+Na 1.1472 1.1806 0.4642 0.0596 2.7346 1.0112 0.6843 0.8417 0.0490 1.8275
PE(40:6e)+H 1.2829 0.2057 1.0614 0.3643 1.1071 1.6143 1.2871 1.5714 0.1943 1.3114
PE(40:7e)+Na 1.2377 0.6785 0.6633 0.1455 2.2799 1.1725 0.9445 0.7187 0.1835 1.9759
PE(40:8)+Na 1.3433 0.3818 0.7278 0.2400 1.7142 1.2872 1.1828 1.0363 0.2945 1.7921
PE(42:11)+Na 1.8008 0.1892 0.9548 0.2630 0.9582 1.3761 1.0499 1.4203 0.2956 1.6921
PE(42:9)+Na 1.1247 0.2566 1.1392 0.3512 1.2157 1.4486 1.5159 1.2029 0.5223 1.2229
PE(44:12)+Na 1.3191 0.5838 0.6866 0.1351 2.2975 1.1731 0.9515 0.9406 0.1449 1.7678
PEt(16:0_18:1)-H 1.0912 0.2586 0.8475 0.0437 3.2190 0.3207 1.1912 1.9096 0.3728 0.7457
PEt(16:0_18:2)-H 0.7579 0.2584 1.2141 0.0196 3.0294 0.3890 1.3528 1.9309 0.3503 0.6976
PEt(16:0_18:3)-H 0.6651 0.0389 0.8245 NA 2.1454 0.5321 1.5945 2.1742 0.5796 0.4457
PEt(16:0_20:5)-H 1.0285 0.1420 1.1415 0.0815 2.2682 0.5724 1.1767 2.1680 0.7894 0.6319
PEt(16:0_22:6)-H 0.7585 0.2619 1.0618 0.0712 2.9277 0.2630 1.4183 1.9265 0.7539 0.5573
PEt(18:1_20:5)-H 1.1862 0.0985 1.3986 0.0699 1.8725 0.1914 1.2093 2.8919 0.9359 0.1460
PEt(18:3_18:2)-H 0.4456 NA 0.9875 NA 1.7990 0.3114 1.1431 2.5932 0.6161 0.1040
PG(15:0_18:1)-H 2.1093 NA 0.6792 0.3415 0.2283 1.0284 1.8319 0.9566 0.3563 1.4684
PG(16:0_18:1)-H 1.4440 0.1554 0.9079 0.4756 0.9317 1.6105 1.3143 1.5132 0.3243 1.3230
PG(16:0_18:2)-H 1.8094 0.0579 1.3040 0.4255 1.3040 1.7220 0.6489 1.3414 0.1641 1.2229
PG(16:0_18:3)-H 0.8827 0.0204 1.5806 0.2292 0.8403 2.5044 0.4543 2.7302 0.3148 0.4431
PG(16:0_20:5)-H 0.2227 NA 2.1689 0.2340 0.9566 2.0292 0.2202 2.6756 0.3352 0.1576
PG(16:0_22:6)-H 0.4130 0.0097 2.5637 0.2439 1.1974 2.0789 0.6163 2.1156 0.3776 0.3839
PG(16:1_18:1)-H 0.7576 NA 1.6044 0.5339 0.2572 1.9778 0.8492 2.0885 0.5864 0.3450
PG(18:0_20:5)-H 0.5331 NA 2.1634 0.3454 0.5594 2.1036 0.6096 2.0797 0.3747 0.2312
PG(18:1_18:1)-H 1.3207 0.1459 0.9160 0.5114 0.7915 1.5608 1.4497 1.3118 0.6670 1.3252
PG(18:1_18:2)-H 2.3270 0.1902 0.8522 0.2943 2.0801 1.1374 0.7792 1.2453 0.0856 1.0087
PG(18:1_18:3)-H 0.8559 0.0209 1.4703 0.4072 0.8686 2.2373 0.7839 2.3135 0.5381 0.5042
PG(18:1_20:3)-H 0.8804 NA 0.9675 0.7474 0.2573 1.5315 1.5682 1.6095 0.9446 0.4936
PG(18:1_20:5)-H 0.1121 NA 1.5072 0.1436 0.4749 2.2261 0.0885 3.3100 0.1376 NA
PG(18:1_22:6)-H 0.4041 0.0448 2.3486 0.3048 1.0821 1.9155 0.6239 2.4985 0.5497 0.2281
PG(18:1D7_15:0)+H 1.5207 0.8808 0.4737 0.2925 1.4526 0.5202 1.7284 0.5252 0.3457 2.2603
PG(18:1D7_15:0)-H 1.3748 0.6118 0.7815 0.3233 1.3376 1.4491 1.1791 1.0391 0.4050 1.4986
PG(18:2_22:6)-H 1.1306 NA 0.9902 0.5069 0.6333 1.9712 0.7315 1.4622 0.7068 0.8673
PG(18:2_22:6)-H_1 NA NA 1.8615 0.2897 1.2860 1.6292 0.2674 2.1843 0.3673 0.1147
PG(18:3_18:2)-H 0.5579 0.0291 1.5118 0.1650 0.8869 2.9355 0.2094 3.1190 0.2414 0.3440
PG(18:3_18:3)-H 0.4703 NA 1.3430 0.2343 0.7185 2.7965 0.1475 2.7634 0.2747 0.2519
PG(18:3_20:5)-H NA NA 1.6369 0.0661 NA 1.5960 0.1074 2.5220 0.0717 NA
PG(18:3_22:6)-H 0.6721 NA 1.1895 0.4684 NA 2.0996 0.3680 1.3116 0.6262 1.2646
PG(18:3_22:6)-H_1 0.1615 NA 1.6269 0.2021 NA 1.5022 0.3339 2.8939 0.2795 NA
PG(20:4_22:6)-H 0.7133 NA 0.8307 0.5772 0.0587 2.9022 1.0198 1.8663 0.8829 0.1491
PG(22:5_22:6)-H 1.1944 0.1813 0.7051 0.8346 1.2999 1.0217 1.4486 0.6332 1.1320 1.5493
PG(22:6_22:6)+H 0.9359 0.0655 1.3234 0.7064 0.5425 2.0060 1.1833 0.9210 1.2549 1.0611
PG(22:6_22:6)-H 0.8246 0.0954 1.1723 0.6954 0.6107 2.0906 1.4487 1.1099 1.1456 0.8068
PG(22:6_22:6)+Na 0.8805 0.0879 1.2681 0.7033 0.8085 1.7056 0.9968 1.0355 1.2681 1.2459
PG(22:6_22:6)+NH4 0.7856 0.0934 1.3235 0.7465 0.6422 1.6430 1.1768 1.1279 1.3104 1.1507
PG(30:0_18:1)+NH4 0.1767 0.0025 0.2799 2.0840 0.0295 1.0665 1.2136 0.0557 3.4325 1.6590
PG(30:0_18:2)+NH4 1.0801 0.0121 0.0221 2.8159 0.0195 0.1261 1.9480 0.4475 3.3560 0.1727
PG(40:6)-H 0.6301 0.0303 2.6452 0.4224 1.0310 1.6896 0.6394 1.7727 0.5886 0.5506
PG(40:7D7)-H 1.5489 0.6211 0.8385 0.2361 1.7411 0.5899 1.1216 1.2818 0.4401 1.5809
PI(16:0_18:1)-H 0.9741 1.2446 0.2654 0.3607 4.3687 0.3835 1.1836 0.4889 0.5931 0.1375
PI(16:0_18:3)-H 0.7516 0.0795 2.8462 0.9261 0.8776 0.8970 0.6691 0.6594 1.7019 0.5915
PI(16:0_20:4)-H 1.0402 0.2564 1.6684 1.2667 0.9918 0.6262 0.8795 0.4871 1.8847 0.8991
PI(16:0_20:5)-H 1.0671 0.1624 1.7757 1.1082 0.7172 0.6718 1.0261 0.5465 2.1300 0.7950
PI(16:0_22:6)-H 1.1435 0.3420 1.6554 0.9954 0.8920 0.6066 1.1109 0.3910 1.9386 0.9246
PI(16:0D31_18:1)+H 1.3994 0.0086 1.0128 0.4681 0.7356 1.7288 1.3227 1.5967 0.6018 1.1254
PI(16:0e_20:4)-H 0.4795 0.3127 1.9968 2.3931 0.6821 0.5872 0.8764 0.4380 1.6614 0.5729
PI(16:1_18:1)-H 0.7433 0.1988 1.9656 1.2368 0.7763 0.6814 1.0241 0.3283 2.4157 0.6297
PI(16:1_18:2)-H 0.1754 NA 1.5870 1.4244 0.3315 0.7768 0.1650 0.2999 3.4983 0.7416
PI(17:0_18:2)-H 1.0101 0.2403 1.9435 0.2809 0.9757 0.0872 1.1367 0.4084 3.1685 0.7486
PI(17:0_18:3)-H 1.0592 0.0459 2.2477 0.8885 0.6501 1.2506 0.9821 0.3085 1.9008 0.6667
PI(17:0_18:3)-H_1 0.0585 NA 2.9143 1.2182 0.5659 0.3101 0.0941 0.8348 2.6045 0.3996
PI(17:0_20:3)-H 0.1427 0.1313 2.2263 1.4522 0.2650 0.3944 1.7027 0.0991 3.0359 0.5504
PI(17:0_20:4)-H 1.5586 0.1667 2.1406 1.5882 0.0998 0.3705 0.7981 0.2740 2.1604 0.8431
PI(17:0_20:4)-H_1 1.1261 0.1119 1.4847 1.7645 0.5107 0.4583 1.0113 0.3723 2.4961 0.6642
PI(17:0_20:5)-H 1.0580 0.1103 2.0337 1.2045 0.5004 0.5004 1.0043 0.4218 2.2517 0.9150
PI(17:0_22:6)-H 0.1857 0.1921 1.8862 1.2084 0.4851 0.6258 0.4612 0.3283 2.7115 1.9157
PI(17:0_22:6)-H_1 1.1072 0.4214 1.2679 1.1831 1.3393 0.1251 0.9286 0.2076 2.3840 1.0358
PI(17:1_18:1)-H 0.7514 0.0225 2.0691 1.8553 0.3804 0.5115 0.6936 0.6184 2.2830 0.8149
PI(17:1_18:3)-H 0.6186 NA 2.6045 1.0106 0.4487 0.7479 0.3790 0.3750 1.8157 NA
PI(17:1_20:4)-H 1.2133 0.0229 0.5058 1.7724 0.6983 0.7454 1.1161 0.5460 3.0886 0.2911
PI(17:1_22:6)-H 0.2158 0.1157 1.8630 1.8318 0.2247 0.2675 1.2752 0.1534 3.4270 0.6259
PI(18:0_18:2)-H 0.9371 0.3830 1.7105 0.8671 1.3375 0.8198 0.6060 0.5878 1.8925 0.8589
PI(18:0_18:3)-H 0.6470 0.0723 2.8635 0.9967 0.7298 0.9123 0.6994 0.7374 1.8921 0.4494
PI(18:0_20:2)-H 0.6256 0.2381 2.8735 1.3585 0.6514 0.1018 0.7141 0.2080 2.8885 0.3404
PI(18:0_20:3)-H 0.7547 0.2473 1.7441 0.8023 0.8039 0.4138 1.0734 0.3916 2.8857 0.8831
PI(18:0_20:4)+H 1.0456 0.6882 1.4999 0.7550 2.0879 0.4276 0.9704 0.4126 1.0139 1.0990
PI(18:0_20:4)-H 1.0724 0.4419 1.4730 1.1784 1.3271 0.5286 0.9802 0.4254 1.6520 0.9210
PI(18:0_20:4)+NH4 1.0115 0.7592 1.6693 0.8290 1.8675 0.5564 0.8921 0.4506 1.0498 0.9146
PI(18:0_20:5)+H 1.1547 0.3543 1.8914 1.0324 1.3255 0.4461 0.8718 0.4384 1.4606 1.0247
PI(18:0_20:5)-H 1.0300 0.0801 2.1193 1.5260 0.1469 0.6479 1.1344 0.6028 2.4207 0.2919
PI(18:0_20:5)-H_1 0.9470 0.3143 1.5796 1.1552 1.0845 0.7426 0.8409 0.4637 2.1100 0.7623
PI(18:0_22:5)-H 1.0697 0.5269 1.5887 1.2005 1.0182 0.5032 0.9707 0.4239 1.6799 1.0182
PI(18:0_22:5)-H_1 0.7963 0.6928 1.1975 0.9154 1.8465 0.2191 1.2038 0.2320 2.1035 0.7931
PI(18:0_22:6)-H 0.7522 0.1240 1.1801 2.0231 0.8388 0.5130 1.0116 0.3560 3.0748 0.1264
PI(18:0_22:6)-H_1 0.7955 0.4082 1.7306 0.9630 1.0537 0.4990 1.0363 0.3908 2.2540 0.8688
PI(18:1_18:1)-H 0.0758 0.1465 3.0839 1.1828 0.6966 0.6277 0.9977 0.4172 2.1696 0.6023
PI(18:1_18:2)-H 0.9616 0.2811 2.0329 1.0500 1.1526 0.6435 0.7389 0.3942 2.0329 0.7124
PI(18:1_18:3)-H 0.7218 0.1256 2.7274 0.8398 1.0228 1.0394 0.6228 0.7767 1.6049 0.5189
PI(18:1_20:3)-H 0.8032 0.0735 1.8332 1.2435 0.4216 0.5737 0.9339 0.4136 2.7485 0.9553
PI(18:1_20:4)-H 1.2738 0.2572 1.4207 1.2542 0.9210 0.5928 0.9406 0.4394 1.8763 1.0239
PI(18:1_20:5)-H 1.0561 0.2353 1.7048 0.9813 0.7484 0.7933 1.0146 0.6220 1.9543 0.8898
PI(18:1_22:6)-H 0.9965 0.2650 1.4616 1.2032 0.7972 0.4872 1.0851 0.3381 2.4507 0.9153
PI(18:1D7_15:0)-H 1.0255 2.3978 1.1009 0.3182 2.1264 0.5618 0.5391 0.3883 0.4788 1.0632
PI(18:1e_20:4)-H 1.1315 0.3756 1.7161 1.4521 0.9847 0.4932 0.9995 0.5705 1.5275 0.7492
PI(18:2_18:2)+Na 0.0598 0.0134 1.8761 2.6189 0.0485 0.2011 0.6415 0.0709 4.4275 0.0423
PI(18:2_22:6)-H 0.7817 0.3922 1.2846 1.4070 0.8092 0.4663 1.0807 0.1896 2.3110 1.2778
PI(18:3_18:2)-H 0.8866 0.0431 2.0888 1.1767 0.7330 0.8155 0.8200 0.4008 2.4263 0.6092
PI(18:3_18:3)-H 0.7367 0.0933 2.0916 1.3667 0.7552 1.0916 0.4681 0.8066 1.9913 0.5987
PI(18:3_20:4)-H 1.7407 1.9993 0.5550 0.1710 2.9472 0.0532 0.6205 0.0070 0.2309 1.6752
PI(18:3_20:4)-H_1 0.1106 0.0565 0.8879 3.2886 0.0532 0.0178 0.1770 0.0079 5.3243 0.0762
PI(18:3_20:4)-H_2 0.2389 0.0520 0.8452 0.3828 0.1631 2.4277 4.0333 1.2421 0.5767 0.0381
PI(18:3_20:4)-H_3 0.2412 0.1066 3.2564 0.4774 0.1679 0.8923 2.1040 0.2341 2.4168 0.1032
PI(18:3_20:5)-H 0.4062 NA 1.8280 1.2492 0.1589 0.4248 1.5386 0.3631 2.8939 0.1374
PI(18:3_22:6)-H 0.2137 0.0682 2.3048 2.1683 0.1976 0.8953 0.4258 0.0305 3.4658 0.2299
PI(18:4_18:1)-H 0.8361 0.1018 2.3206 1.0158 0.6788 1.0626 0.9533 0.7970 1.6956 0.5385
PI(18:4_18:3)-H 0.2072 NA 2.0414 1.1858 NA 0.5613 0.2837 0.4172 2.3033 NA
PI(19:0_20:4)-H 1.4768 0.4154 1.3784 1.2245 1.1692 0.4037 0.7753 0.3384 2.0368 0.7815
PI(19:0_20:5)-H 0.4131 0.1995 1.1895 1.2015 1.2038 0.5644 0.7956 0.2402 3.0838 1.1087
PI(19:1_20:4)-H 1.0643 0.0457 1.4478 1.7585 0.4548 0.5223 1.0511 0.4370 2.4923 0.7264
PI(20:0_20:4)-H 1.0797 0.5507 1.4276 1.4159 1.0968 0.2756 1.0059 0.1799 2.4146 0.5532
PI(20:1_22:6)-H 0.6029 0.5196 1.4193 1.8048 0.9683 0.3256 0.7722 0.2673 2.6084 0.7117
PI(20:2_22:6)-H 0.8259 0.0749 1.3444 1.2032 0.1381 NA 1.3131 NA 2.0487 1.0517
PI(20:3_20:4)-H 1.1974 0.1168 1.6328 1.6237 0.1255 0.0686 1.4514 0.3613 2.7576 0.6648
PI(20:3_22:6)-H 1.2333 0.1080 1.4809 1.3378 0.4972 0.5832 1.0491 0.2239 2.8109 0.6756
PI(20:4_20:4)-H 1.3901 0.1161 1.4086 1.5196 0.0536 0.6198 1.0126 0.6055 2.6971 0.5769
PI(20:4_22:6)-H 0.8031 NA 1.5804 1.0742 0.2182 0.6145 0.8246 0.3083 2.9839 0.5928
PI(20:4_22:6)-H_1 0.5866 0.3236 2.0211 1.7771 0.6432 0.0922 0.8271 0.3106 2.6689 0.7497
PI(20:5_20:4)-H 0.9627 NA 0.9672 0.7077 0.1455 0.7482 0.6116 0.8028 3.8464 0.2078
PI(22:6_22:6)-H 0.4879 0.2832 2.2923 1.4882 0.2939 0.2022 1.5791 0.2195 3.0160 0.1378
PI(38:6D9)-H 0.9326 0.2115 0.9106 0.5231 0.7520 1.7481 1.3828 1.0658 1.0123 1.4611
PI(42:11)-H 0.3162 0.0726 1.4266 1.5104 NA NA 1.1023 0.0712 2.5007 NA
PMe(18:0_16:0)+H 1.5126 0.3703 0.6549 0.2772 1.8361 1.2553 1.0292 0.8381 0.2694 1.9570
PS(16:0_18:1)-H 0.0041 0.0272 2.1239 0.5101 0.5797 0.9408 0.3442 0.6821 4.7017 0.0861
PS(16:0_22:6)-H 1.1128 0.1086 2.0001 1.0226 2.0452 1.4813 0.6136 0.3584 1.1128 0.1445
PS(16:0_22:6)-H_1 0.1193 0.0258 0.8435 6.8651 NA 0.0598 0.0699 0.1510 0.8391 0.0265
PS(17:0_22:6)-H 0.9515 NA 1.6474 1.4944 NA 0.5228 1.1717 0.0648 2.0509 0.0966
PS(17:0_22:6)-H_1 NA NA 0.6601 1.3271 NA 0.0366 0.1989 NA 2.7773 NA
PS(18:0_18:1)-H 0.0407 0.0236 0.2157 3.4842 0.0563 0.1550 0.0816 0.0539 5.7994 0.0898
PS(18:0_18:2)-H 0.1008 0.0144 4.1610 2.0872 0.0074 0.2601 0.6476 0.0768 2.6040 0.0408
PS(18:0_18:3)-H NA NA 1.1073 3.2816 NA 0.0524 0.1002 0.0626 2.3958 0.0000
PS(18:0_20:4)-H 0.0533 0.0437 2.5072 3.0140 0.0534 0.2797 0.0987 0.0809 3.7981 0.0710
PS(18:0_20:5)-H 0.0504 0.0527 0.3698 3.3051 0.0899 0.2206 0.1930 0.0914 5.6200 0.0073
PS(18:0_22:5)-H 1.5787 1.5730 0.0045 0.0036 3.1973 1.6300 0.0347 0.7124 0.0062 1.2595
PS(18:0_22:6)+H 0.0515 0.0123 2.4304 1.6623 NA 0.0784 0.3118 NA 2.4533 NA
PS(18:0_22:6)-H 1.0396 1.8601 0.8036 0.3158 0.0252 0.7024 0.8879 0.2023 0.1843 3.9787
PS(18:0_22:6)-H_1 0.0660 0.0167 2.2274 2.4434 0.0257 0.0763 0.6318 0.0257 4.4818 0.0053
PS(18:1_22:6)-H 0.0380 0.0124 0.9243 2.6778 0.0304 0.0784 0.3242 0.0388 5.7861 0.0897
PS(18:1D7_15:0)-H 0.7273 3.3356 0.2050 0.2340 3.4051 0.3104 0.5003 0.3173 0.1705 0.7945
PS(18:4_18:0)-H NA NA 1.1554 2.0319 0.1177 0.3717 0.6194 0.0827 2.6212 NA
PS(19:0_22:6)-H NA 0.0189 1.7403 1.6978 NA 0.1579 0.6484 0.0275 3.6716 0.0376
PS(22:5_22:6)-H 0.0320 0.0375 0.3473 1.0597 0.2335 6.4130 0.3043 0.0746 1.3469 0.1513
PS(22:6_22:6)+H 0.0860 2.4926 0.4253 0.2943 4.6957 0.3924 0.5443 0.6336 0.1262 0.3096
PS(22:6_22:6)-H 2.0673 0.0863 0.6723 0.1597 0.1316 2.6482 0.5501 1.4693 0.2674 1.9477
PS(22:6_22:6)+H_1 0.0409 0.0208 2.4390 1.1484 0.0184 0.0888 0.6002 0.0850 5.5165 0.0420
PS(22:6_22:6)-H_1 0.1477 0.0358 4.5858 0.4282 0.0286 0.3611 3.8722 0.1187 0.3526 0.0694
PS(22:6_22:6)+H_2 0.2602 0.0585 1.4128 0.7237 0.1982 1.9666 4.0276 0.1614 1.1170 0.0739
PS(22:6_22:6)-H_2 0.0460 0.0144 1.5607 2.7572 0.0132 0.1743 0.5766 0.0765 4.7253 0.0559
PS(22:6_22:6)+H_3 0.3792 0.3398 3.4356 0.1506 0.5137 1.7912 1.7241 1.1997 0.1590 0.3071
PS(22:6_22:6)-H_3 0.0218 2.4239 0.1875 0.0907 4.3120 0.0428 0.0910 0.0773 0.0739 2.6791
PS(35:1)-H 1.1718 0.1849 0.9108 0.5652 1.2876 1.4552 1.2478 1.1113 0.6585 1.4068
PS(39:1)-H 1.8577 0.2852 0.9420 0.4207 1.3550 0.7223 1.3441 1.4862 0.7453 0.8414
PS(39:4)-H 1.4676 0.0552 1.0139 0.4924 1.2435 1.7252 0.6498 1.5908 0.2941 1.4676
PS(39:5)-H 1.4452 0.0593 0.8785 0.5914 0.4925 1.5788 1.3611 1.2670 0.8315 1.4947
PS(40:8D8)-H 1.5815 0.3227 0.7468 0.8535 1.3305 0.9351 1.0983 0.7594 0.7405 1.6317
PS(41:0)-H 1.1046 0.2219 0.7613 0.6901 1.0322 1.4713 1.4362 1.1794 0.9236 1.1794
PS(41:1)-H 1.4834 0.1169 0.7583 0.6239 0.9860 1.4834 1.5096 0.8045 0.8290 1.4049
PS(41:5)-H 1.5504 0.1375 0.8539 0.5160 0.8849 1.5917 1.1145 1.3853 0.6269 1.3389
PS(42:10)-H 1.4151 0.4496 0.6764 0.3042 1.5265 1.3260 1.2034 0.9884 0.4613 1.6491
PS(42:7)-H 1.3040 0.7784 0.5688 0.2894 2.5747 0.6028 1.4570 0.5349 0.3732 1.5169
PS(42:9e)-H 1.3093 0.6086 0.6658 0.2484 1.6743 1.3649 1.3252 0.8729 0.3357 1.5950
PS(43:1)-H 0.9286 0.1906 0.9423 0.5664 0.7979 1.9336 1.2173 1.3617 0.9450 1.1166
PS(43:5)-H 1.3645 0.1746 0.8491 0.6793 0.7657 1.3645 1.3615 1.2423 0.8312 1.3675
PS(43:6)-H 1.3623 0.2619 0.7658 0.4788 1.0435 1.3490 1.4945 1.0144 0.6957 1.5342
PS(44:12)+Na NA 0.0172 1.9830 1.2704 NA 0.2039 0.2327 NA 2.2928 NA
PS(44:12)+Na_1 0.2041 0.0318 3.7341 1.7599 0.1112 1.3314 1.7477 0.1262 0.8968 0.0567
PS(45:0)-H 0.7117 0.1078 1.0410 0.5900 0.6914 2.1539 1.5764 1.1799 1.2096 0.7382
PS(46:8)-H 0.6774 0.0197 0.0455 1.1585 0.5770 0.4936 2.5300 NA 1.9852 1.5131
PS(47:1)-H 0.9941 0.0452 1.1138 0.7106 0.3853 2.0241 1.4053 1.3015 1.2735 0.7465
PS(47:2)-H 0.9251 0.0227 1.0505 0.6813 0.4809 1.8658 1.6463 1.3406 1.2308 0.7560
PS(47:6)-H 0.9152 0.3199 0.8904 0.8739 0.7197 1.5253 1.7314 0.8228 1.1213 1.0801
PS(49:1)-H 0.6450 0.0340 0.9209 0.7497 0.3402 1.7972 1.9567 1.6589 1.3931 0.5043
PS(49:2)-H 0.6864 NA 0.8981 0.8253 0.1793 1.5551 1.7477 1.2039 1.3965 0.5076
PS(51:1)-H 0.5209 NA 0.7401 0.7940 NA 1.4505 1.4353 1.6891 1.2329 0.1372
SM(d16:1_16:0)+H 0.9635 0.4801 0.6892 0.5470 2.2583 0.6691 1.6895 0.7360 0.6825 1.2847
SM(d16:1_23:0)+H 0.4414 NA 1.9141 0.0329 1.5030 2.6946 0.0214 2.3694 0.0089 0.0142
SM(d16:1_24:1)+H 1.1379 0.2875 1.1630 0.4252 1.3535 1.2696 1.4852 1.0384 0.5701 1.2696
SM(d17:1_16:0)+H 1.3722 0.2004 0.8406 0.3980 1.3004 1.1136 1.3507 1.2357 0.4857 1.7027
SM(d17:1_24:3)+H 0.6365 0.0012 1.6769 0.1564 0.8951 2.7260 0.3807 2.8365 0.1677 0.5231
SM(d18:1_19:0)+H 1.3694 0.1733 0.8990 0.3519 1.4587 1.1134 1.5778 0.9824 0.4191 1.6552
SM(d18:1_22:3)+H 0.9240 0.1959 1.1011 0.0866 2.6033 1.6964 0.6039 1.4617 0.0894 1.2377
SM(d18:1_23:0)+Na 1.5662 0.1079 1.1770 0.6096 0.6915 1.1951 1.6384 1.1855 0.7758 1.0529
SM(d18:1_23:3)+H 2.5353 0.0707 0.6153 0.3355 0.5921 0.7513 1.0373 0.9724 0.2767 2.8135
SM(d18:1_24:1)+H 0.8696 0.0785 1.6496 0.8008 0.5157 1.7457 1.4142 0.9289 1.1675 0.8296
SM(d18:1_24:3)+H 1.4382 0.1095 1.1216 0.5903 0.7459 1.3738 1.3792 1.2289 0.6601 1.3524
SM(d19:1_16:0)+H 1.6803 0.1772 0.8336 0.4027 1.0643 1.0818 1.0861 1.0121 0.5202 2.1417
SM(d19:1_23:0)+H 0.8956 0.1109 1.7064 0.6378 0.5835 1.7946 1.4350 1.2552 0.8719 0.7090
SM(d19:1_23:1)+H 1.1223 0.0897 1.2438 0.6054 0.5551 1.5699 1.4571 1.5144 0.8882 0.9541
SM(d19:1_24:1)+H 0.6536 0.0621 0.6322 0.4642 0.3955 2.0767 2.2447 0.6811 1.6339 1.1560
SM(d20:0_21:2)+H 1.3094 0.0654 1.1235 0.7839 0.4058 1.4055 1.3521 1.4226 0.9762 1.1556
SM(d20:0_21:2)+H_1 0.8296 0.0518 1.8104 0.6784 0.7154 1.5256 1.2497 1.5116 1.0511 0.5765
SM(d30:1)+H 0.2663 0.4960 0.4680 1.1640 2.1016 0.2369 1.8371 0.2668 1.9693 1.1940
SM(d32:1)+HCOO 0.9146 0.5159 0.7035 0.7638 1.8760 0.6533 1.9866 0.6868 0.9648 0.9347
SM(d33:1)+H 1.5902 0.4139 0.6631 0.3618 1.7707 0.7986 1.2916 0.4236 0.4368 2.2498
SM(d33:1)+HCOO 1.6831 0.1493 0.7908 0.6460 0.6736 1.2029 1.5469 1.1324 0.8168 1.3583
SM(d33:1)+HCOO_1 1.4839 0.2643 0.6555 0.5678 1.3688 0.9616 1.4605 0.8167 0.7968 1.6241
SM(d34:0)+H 1.0166 0.4426 1.1589 0.2768 1.6734 1.3935 1.1730 1.0181 0.4098 1.4373
SM(d34:0)+HCOO 1.1615 0.3609 1.0875 0.3471 1.3165 1.5039 1.4114 1.0597 0.5391 1.2124
SM(d34:1)+H 1.2857 0.4989 0.8619 0.2880 1.5068 1.2695 1.2715 1.1235 0.3833 1.5108
SM(d34:1)+HCOO 1.2029 0.3281 0.9235 0.4526 1.1118 1.4459 1.3761 1.1695 0.6045 1.3852
SM(d35:1)+H 1.3984 0.2797 0.8214 0.3488 1.3625 0.9942 1.3462 0.8931 0.4531 2.1025
SM(d35:1)+HCOO 1.4478 0.2173 0.4719 0.5710 0.7737 1.3099 1.7048 0.9339 0.7208 1.8489
SM(d35:1)+HCOO_1 1.8265 0.1194 0.7515 0.5324 0.7650 1.2098 1.2604 0.9975 0.7852 1.7524
SM(d35:3)+H 1.0509 0.4043 1.2480 0.3627 1.5691 1.7662 1.0290 1.2407 0.3875 0.9415
SM(d35:3)+HCOO 1.2114 0.3164 1.2063 0.4681 1.1683 1.8139 1.2532 1.2444 0.6342 0.6839
SM(d36:0)+H 1.1028 0.3235 1.1972 0.1727 1.6461 1.5425 1.0694 1.0763 0.3039 1.5656
SM(d36:1)+H 1.2054 0.5741 0.8599 0.2502 1.6003 1.2262 1.0443 0.9534 0.3221 1.9640
SM(d36:1)+HCOO 1.3991 0.4041 0.7881 0.3553 1.2727 1.3570 1.1716 1.0367 0.3907 1.8248
SM(d36:2D9)+H 0.9341 2.0211 0.3827 0.0558 3.1453 0.6158 0.4257 0.4836 0.0760 1.8599
SM(d36:2D9)+HCOO 1.0845 1.7021 0.4237 0.0991 2.7147 0.8977 0.6442 0.6054 0.1120 1.7165
SM(d36:3)+H 1.8086 0.0919 1.4866 0.5055 0.0673 1.6103 1.6082 0.8638 0.3988 1.5591
SM(d36:4)+H 0.8514 2.2258 0.3985 0.0601 3.2686 0.5930 0.4996 0.5090 0.0920 1.5020
SM(d37:1)+H 1.7692 0.0702 0.5206 0.2237 0.9656 0.8156 0.9296 0.6837 0.2555 3.7663
SM(d37:1)+HCOO 2.1517 0.0033 0.4366 0.2226 0.6493 0.6813 1.0265 0.6374 0.2615 3.9298
SM(d37:3)+H 1.3589 0.3548 1.1648 0.4142 1.3913 1.3481 1.1109 0.9243 0.5091 1.4236
SM(d37:3)+HCOO 1.4144 0.2702 0.9714 0.5404 1.0826 1.5187 1.2622 0.9595 0.6602 1.3203
SM(d38:0)+H 0.7019 0.0828 1.8249 0.2674 0.8774 2.4356 0.8002 2.0496 0.3334 0.6268
SM(d38:0)+HCOO 0.7183 0.1409 1.4760 0.2500 1.2389 2.6273 0.7925 1.7515 0.3248 0.6799
SM(d38:1)+H 0.8565 0.1337 1.5221 0.3432 1.4543 1.9349 0.9798 1.4789 0.3968 0.8997
SM(d38:1)+HCOO 0.6878 0.1841 1.3977 0.3612 1.3036 1.9374 0.9895 1.8821 0.4498 0.8068
SM(d38:5D8)+H 0.0412 5.6311 0.0375 NA 2.8124 0.0162 0.0850 0.0137 0.0060 0.3570
SM(d39:0)+H 0.2196 0.0138 1.9689 0.0826 1.7915 2.7045 0.0384 2.0122 0.9087 0.2597
SM(d39:0)+H_1 1.9873 0.0972 0.7331 0.3459 0.8921 1.1482 1.4706 0.9009 0.4961 1.9285
SM(d39:0)+HCOO 1.9848 NA 0.5633 0.4313 0.9100 1.1535 1.2862 0.6213 0.4883 1.5612
SM(d39:1)+H 0.7033 0.0153 1.7228 0.4449 1.0607 2.3014 0.5053 2.3400 0.5271 0.3793
SM(d39:1)+H_1 1.4941 0.1071 0.8384 0.5811 0.6458 0.9961 1.7930 1.0293 0.7471 1.7681
SM(d39:1)+HCOO 0.6309 0.0304 1.7164 0.4647 1.1092 2.6594 0.4511 2.1947 0.4037 0.3395
SM(d39:3)+H 1.2276 0.1332 1.5948 0.4879 0.7040 1.6473 1.1541 0.9663 0.8677 1.2171
SM(d40:0)+H 1.0017 0.1195 1.2380 0.6710 0.6757 1.6916 1.6869 1.1719 0.8883 0.8553
SM(d40:0)+HCOO 1.1540 0.1693 0.9194 0.5474 1.0372 1.5736 1.8788 1.0204 0.7725 0.9274
SM(d40:1)+H 1.0116 0.1095 1.6021 0.4732 0.8857 1.9755 1.4697 1.2765 0.6035 0.5926
SM(d40:1)+H_1 1.2303 0.1031 0.9924 0.6890 0.6507 1.4053 1.6540 1.2631 1.0116 1.0006
SM(d40:1)+HCOO 1.1214 0.1761 0.8931 0.6800 0.8119 1.4513 1.6695 1.1823 0.9185 1.0961
SM(d40:2)+H 0.4129 0.0389 0.6180 0.9347 0.2927 1.0549 2.4606 2.2485 1.5414 0.3974
SM(d40:2)+HCOO 0.9491 0.2942 1.0907 0.5619 1.1881 1.2965 1.8518 0.9381 0.8208 1.0088
SM(d40:3)+H 2.4175 0.1720 0.7733 0.5098 0.9360 1.2134 1.1251 0.9685 0.4711 1.4133
SM(d41:0)+H 1.1023 0.1473 1.2157 0.7002 0.8650 1.3910 1.8703 0.8685 0.8510 0.9889
SM(d41:0)+HCOO 1.1956 0.2244 1.0521 0.7656 1.1184 1.3274 1.7619 0.7123 0.8112 1.0311
SM(d41:1)+H 0.9425 0.1218 0.9425 1.0727 0.5832 1.0414 1.9423 0.9998 1.4216 0.9321
SM(d41:1)+H_1 1.9366 0.0599 0.7631 0.8057 0.4230 0.9949 1.4668 1.1033 1.3243 1.1224
SM(d41:1)+HCOO 1.3635 0.1662 0.8405 0.8414 0.8582 0.9432 1.6903 0.9432 1.1487 1.2047
SM(d41:2)+HCOO 0.9018 0.1011 2.0647 0.8840 0.4214 1.0086 1.6375 1.1035 1.2400 0.6375
SM(d41:3)+H 1.0252 0.0993 1.3122 0.7452 0.5925 2.0412 1.3886 1.6108 0.6712 0.5138
SM(d41:3)+HCOO 1.1167 0.1428 1.1648 0.6518 0.7266 2.2120 1.4479 1.3892 0.6465 0.5017
SM(d42:0)+H 0.9346 0.1397 1.4371 0.5857 1.0010 1.6947 1.7245 1.1001 0.6710 0.7116
SM(d42:1)+H 0.9268 0.1330 1.0848 0.8271 0.7066 1.2552 1.9867 1.2219 1.0474 0.8105
SM(d42:1)+HCOO 0.9971 0.2018 0.9107 0.7851 0.9421 1.2012 1.9549 1.0128 1.1541 0.8401
SM(d42:1)+HCOO_1 0.9544 0.1894 1.2884 0.5368 0.8784 1.9008 1.5270 1.1691 0.7333 0.8224
SM(d42:2)+HCOO 1.1757 0.1487 1.0259 0.6216 0.6515 1.5689 1.4303 1.3779 0.9660 1.0334
SM(d42:3)+H 1.1770 0.1447 1.3739 0.7785 0.7968 1.4380 1.7082 1.2594 0.7877 0.5358
SM(d42:3)+H_1 1.5216 0.0968 0.8869 0.6200 0.7063 1.2124 1.4890 1.2042 0.6843 1.5785
SM(d42:3)+HCOO 1.4781 0.1314 0.8084 0.6661 0.6259 1.3285 1.6350 1.1077 0.8084 1.4106
SM(d42:3)+HCOO_1 1.1863 0.2442 1.0634 0.7086 1.0957 1.5497 1.6672 1.1222 0.7075 0.6554
SM(d42:4)+H 1.2356 0.0434 0.9120 0.3405 0.3232 1.7688 1.3349 1.6401 0.6730 1.7284
SM(d42:4)+HCOO 1.3281 0.0443 0.8910 0.4506 0.1746 1.7232 1.6055 1.5299 0.9919 1.2609
SM(d43:1)+H 1.2303 0.0343 0.4275 0.3124 0.6905 1.2276 1.6989 1.2111 1.5893 1.5783
SM(d43:1)+HCOO 1.9699 0.1427 1.0055 1.1696 0.7797 1.1081 1.8109 0.2678 1.4364 0.3096
SM(d43:2)+H 0.4559 0.0658 0.4527 0.3799 0.1306 2.1987 2.3765 1.8430 1.7299 0.3670
SM(d43:2)+HCOO 1.4198 0.0839 0.9563 1.2501 0.2093 0.5026 2.1117 0.5320 1.3676 1.5667
SM(d43:2)+HCOO_1 0.4905 0.0847 0.9646 1.2609 0.1638 0.5136 2.1301 1.4321 1.3794 1.5803
SM(d43:3)+H 1.3662 0.0643 1.2258 0.7506 0.4752 1.4310 1.3446 1.2474 0.8640 1.2312
SM(d43:3)+H_1 0.6952 0.1727 1.3598 0.9357 0.7783 1.5259 1.8670 1.3642 0.9575 0.3437
SM(d43:3)+H_2 0.8353 0.0844 0.6783 0.4183 0.5689 1.6603 1.8791 2.0979 0.8997 0.8778
SM(d43:3)+HCOO 0.7948 0.3284 1.0112 0.7877 1.1683 1.6179 1.9516 1.1730 0.8302 0.3369
SM(d43:4)+H 1.6104 0.1420 0.8204 0.4476 0.9117 0.9561 2.2191 0.9232 0.5364 1.4329
SM(d43:4)+H_1 0.7923 0.1005 1.5783 0.6016 0.5688 2.1877 1.1720 1.8596 0.7079 0.4313
SM(d43:4)+HCOO 0.8716 0.1804 1.4662 0.5865 0.6354 2.1749 1.2789 1.6332 0.7209 0.4521
SM(d43:5)+H 1.1636 0.1342 1.4461 0.5298 1.0086 1.7542 1.2597 1.4147 0.3610 0.9281
SM(d44:1)+H 1.2335 0.0913 1.0708 0.6190 0.6461 1.5769 1.5679 1.4775 0.7500 0.9669
SM(d44:1)+HCOO 1.0301 0.0699 0.9454 0.9193 0.4319 1.6495 1.8256 1.4148 1.1866 0.5268
SM(d44:2)+H 1.3531 0.0582 0.9867 0.7267 0.3847 1.4930 1.3243 1.4322 1.0323 1.2087
SM(d44:2)+HCOO 1.5648 0.0875 0.8544 0.7349 0.5175 1.3719 1.3566 1.2249 1.0167 1.2708
SM(d44:3)+H 1.1128 0.1118 1.0163 0.8130 0.6758 1.1738 1.5650 1.2551 0.9858 1.2907
SM(d44:3)+HCOO 1.2396 0.1086 0.8195 0.8143 0.6877 1.3528 1.5609 1.2773 1.1225 1.0170
SM(d44:4)+H 1.0754 0.0330 0.9728 0.6741 0.2688 1.4637 1.5433 1.7624 1.2944 0.9121
SM(d44:4)+H_1 0.7012 0.0716 2.7745 1.1152 0.4624 1.3752 1.1817 1.3721 0.5108 0.4352
SM(d44:5)+H 1.4452 0.1031 1.0921 0.3153 0.7144 1.6546 1.3056 1.5848 0.3851 1.4000
SM(t18:0_24:0)+H 1.3843 0.0810 1.6372 0.4845 0.5883 0.8173 1.5840 0.7840 0.6562 1.9833
SM(t34:0)+H 1.1328 0.4768 0.6589 0.2381 1.7397 1.2195 1.0981 0.9421 0.4219 2.0720
SM(t34:0)+HCOO 1.0846 0.4571 0.7631 0.3397 1.2356 1.4758 1.2550 1.0729 0.6314 1.6849
SM(t34:1)+H 1.3292 0.4325 0.9622 0.4029 1.3804 1.2065 1.0532 1.2065 0.4008 1.6258
SM(t35:0)+H 1.2524 0.3079 0.9730 0.2994 1.5468 1.3821 0.7634 1.0927 0.3967 1.9858
SM(t35:0)+HCOO 1.3808 0.1010 0.8606 0.4255 1.0013 1.6152 0.9292 1.1376 0.7859 1.7629
SM(t40:0)+H 2.4171 0.0382 0.2204 0.2432 0.6750 0.4652 1.0596 0.6491 0.3253 3.9069
SM(t40:0)+H_1 1.2337 0.1254 1.0049 0.6517 0.7233 1.6018 1.1939 1.1143 0.6298 1.7212
SM(t40:0)+HCOO 2.1480 NA 0.2472 0.1959 0.3873 0.4050 0.8430 0.2887 0.3409 4.1439
SM(t40:0)+HCOO_1 1.2883 0.1827 0.7520 0.4000 1.3611 1.1922 1.1031 1.2120 0.6852 1.8233
SM(t41:0)+H 1.1980 0.1421 0.9633 0.2416 0.9713 1.0442 1.4408 1.3599 0.2671 2.3717
SM(t41:0)+H_1 2.0430 0.0532 0.4390 0.7411 0.5466 0.7835 1.1628 0.7803 0.8748 2.5755
SM(t42:0)+H 0.8628 0.3169 0.6509 0.6888 1.0797 0.9885 2.1698 1.0091 1.1899 1.0436
SM(t42:0)+HCOO 1.1327 0.3328 0.6665 1.7110 1.0041 0.8586 1.6362 0.5314 0.7967 1.3300
SM(t42:1)+H 1.0370 0.0977 0.8967 0.5561 0.4944 1.3476 1.3977 1.5429 1.0821 1.5479
SM(t42:1)+HCOO 1.0982 0.1917 0.7771 0.6154 0.6422 1.3495 1.4426 1.3379 1.0796 1.4658
TG(10:0_12:0_14:0)+NH4 1.3019 1.0344 0.5923 0.1485 2.2135 1.0099 0.6769 0.7369 0.1651 2.1207
TG(11:0_18:3_22:6)+NH4 0.3999 0.0084 2.3722 0.5253 0.4203 2.4467 0.7760 2.1655 0.8201 0.0656
TG(11:0_18:3_22:6)+NH4_1 0.9423 0.0092 1.5807 0.7164 0.2655 1.8239 1.5503 1.7226 1.0072 0.3820
TG(12:0_14:0_14:0)+NH4 1.2435 1.5975 0.2150 0.0230 3.3847 0.0662 0.3789 0.1704 0.0250 2.8958
TG(12:0_18:3_18:3)+NH4 0.2539 0.0039 1.3914 1.0180 0.3086 1.6776 1.8917 1.5457 1.2819 0.6272
TG(12:0_18:3_22:6)+Na 1.3492 0.0226 1.3675 0.4075 0.2909 2.1109 1.2482 2.0467 0.5094 0.6470
TG(12:0_18:3_22:6)+Na_1 1.2082 0.0515 1.3170 0.3758 0.7189 2.0358 1.2143 1.9815 0.4386 0.6585
TG(12:0_18:3_22:6)+NH4 0.7470 0.0182 1.5666 0.8156 0.3044 2.0027 1.3486 1.9542 1.1548 0.0880
TG(12:0_18:3_22:6)+NH4_1 0.7610 0.0175 1.5854 0.7258 0.3319 1.9518 1.4233 1.8602 1.0147 0.3284
TG(12:0e_12:4_16:0)+H 0.8714 0.0453 0.7637 1.3073 0.0348 1.3332 1.3202 0.5486 2.6922 1.0833
TG(12:0e_6:0_20:3)+H 1.3273 0.0767 1.1824 0.5105 1.0407 1.5084 1.2054 1.4491 0.7707 0.9288
TG(12:0e_6:0_20:4)+H 1.4299 0.1381 0.8474 0.6923 0.8284 1.5737 1.1992 1.2408 0.7490 1.3013
TG(12:0e_6:0_22:4)+H 1.0116 0.0789 1.4525 0.6982 0.6960 1.7616 1.1737 1.3185 0.7500 1.0591
TG(12:1e_10:4_16:0)+H 0.7141 0.0645 0.3091 0.7149 1.6558 0.1845 2.6044 0.0271 1.2763 2.4492
TG(12:1e_10:4_22:6)+H 0.1048 NA 0.1240 0.0263 0.7491 0.1737 0.6927 0.1455 6.1721 0.8117
TG(12:1e_6:0_20:4)+H 1.5069 0.1483 0.8312 0.3555 1.1691 1.3539 1.0702 1.2479 0.4332 1.8837
TG(12:1e_8:0_18:0)+H 1.5485 0.6411 0.6561 0.0421 2.7407 0.7199 0.6074 0.5999 0.0522 2.3921
TG(14:0_14:2_18:3)+NH4 0.8265 0.0030 1.5599 0.7020 0.5966 1.9157 1.5326 1.7378 1.0933 0.0327
TG(14:0_18:3_18:3)+H 1.2548 0.0274 1.3159 0.5209 0.5957 1.7440 1.5107 1.5832 0.8562 0.5912
TG(14:0_18:3_18:3)+Na 0.8208 0.0049 1.7594 0.7011 0.2613 1.8826 1.4251 1.9793 0.9589 0.2067
TG(14:0_18:3_18:3)+Na_1 0.7615 0.0835 0.8695 0.6365 0.8808 1.8696 1.3298 1.3582 0.9888 1.2218
TG(14:0_18:3_18:3)+Na_2 1.4799 0.0348 1.0249 0.1955 0.8449 1.6999 1.0999 1.5599 0.1855 1.8748
TG(14:0_18:3_18:3)+NH4 0.6749 0.0355 1.5418 0.5643 0.6982 2.0479 1.5883 1.8210 0.7622 0.2659
TG(14:0_18:3_20:5)+H 1.5416 0.2282 0.6974 0.1621 2.2084 1.2235 0.9788 1.1868 0.1523 1.6211
TG(14:0_20:5_22:6)+NH4 1.1574 0.0329 0.8417 0.8862 0.4978 1.0076 1.5620 2.2419 0.9024 0.8701
TG(14:0_22:6_22:6)+NH4 0.9197 0.1128 0.3103 2.3832 1.2076 0.3279 1.8394 0.1056 0.6902 2.1033
TG(14:1e_6:0_16:0)+Na 1.5189 0.3374 0.7785 0.2549 1.6944 1.2517 1.1296 0.9693 0.3251 1.7402
TG(14:1e_6:0_18:0)+Na 1.5929 0.2381 0.7876 0.3435 1.4567 1.2702 1.2169 1.1399 0.5182 1.4360
TG(14:1e_6:0_18:1)+Na 1.4032 0.1928 0.9734 0.2004 1.5296 1.5423 0.8217 1.5739 0.3028 1.4601
TG(15:0_13:0_16:1)+NH4 1.3330 1.1886 0.4366 0.2810 2.0884 0.5254 1.1664 0.5921 0.4443 1.9440
TG(15:0_14:0_16:0)+NH4 1.4924 1.7797 0.2829 0.1711 1.8921 0.4271 0.7931 0.4028 0.2173 2.5415
TG(15:0_14:0_16:1)+NH4 2.1321 1.8321 0.0202 0.3043 0.8100 0.4661 1.2964 0.0286 0.3139 2.7964
TG(15:0_14:0_18:3)+NH4 1.9699 0.0572 1.2465 0.4918 1.2780 1.6411 0.3459 1.4095 0.0906 1.4695
TG(15:0_14:1_16:1)+NH4 0.1343 1.8548 0.5262 0.0394 3.8148 0.7465 1.0754 0.5656 0.3321 0.9109
TG(15:0_14:2_18:3)+NH4 1.8800 0.0251 2.5717 0.0819 0.2341 0.6961 1.9509 0.6811 0.8682 1.0109
TG(15:0_16:0_16:0)+Na 1.4300 1.4702 0.3443 0.0090 2.0679 0.3971 0.6738 0.6126 0.0801 2.9150
TG(15:0_16:0_16:0)+NH4 2.3997 0.1266 0.7654 0.3670 1.3159 0.9583 1.6155 1.0007 0.5129 0.9379
TG(15:0_16:0_16:1)+Na 0.7097 2.3646 0.1532 0.0208 2.5934 0.1934 0.3582 0.3714 NA 2.2353
TG(15:0_16:0_16:1)+NH4 1.5884 0.6104 0.7383 0.3773 1.1852 1.0217 1.2597 0.9003 0.4890 1.8297
TG(15:0_16:0_18:1)+Na 1.6657 0.5190 0.6065 0.1312 1.7172 0.8939 0.8168 0.9261 0.1769 2.5468
TG(15:0_16:0_18:1)+NH4 1.8396 0.1478 0.7854 0.5047 0.7078 1.1050 1.2662 1.2543 0.5734 1.8157
TG(15:0_16:0_18:2)+Na 1.5472 0.7510 0.5114 0.1074 2.0200 0.7682 0.6318 0.7188 0.1289 2.8151
TG(15:0_16:0_18:2)+NH4 1.8687 0.0295 1.0533 0.4296 0.1053 1.3979 1.3348 1.4318 0.5727 1.7765
TG(15:0_16:0_18:3)+H 1.4923 0.0582 1.2593 0.4144 1.0929 1.6032 1.0097 1.4701 0.5126 1.0873
TG(15:0_16:0_18:3)+NH4 0.7303 0.1004 1.2513 0.4527 1.0634 1.6571 1.3367 1.4734 0.6150 1.3197
TG(15:0_16:0_22:6)+NH4 1.5730 0.0819 1.0632 0.4639 0.9243 1.6075 1.4123 1.4467 1.0242 0.4030
TG(15:0_16:1_16:1)+NH4 1.5966 0.5556 0.7874 0.3647 1.3551 0.9710 1.1715 0.8889 0.5314 1.7778
TG(15:0_16:1_18:1)+NH4 1.4146 0.7948 0.7569 0.4258 0.9056 1.1609 1.2352 1.0136 0.7321 1.5604
TG(15:0_16:1_18:3)+H 1.5152 0.0156 1.2192 0.4362 0.8739 1.5928 1.2545 1.4870 0.6329 0.9726
TG(15:0_16:1_18:3)+NH4 1.4359 0.0593 1.2707 0.4142 0.9288 1.7436 1.1966 1.4758 0.5464 0.9288
TG(15:0_18:1_18:3)+H 1.5649 0.0552 1.1741 0.4251 0.8347 1.5426 1.1707 1.5169 0.5639 1.1518
TG(15:0_18:1_18:3)+Na 1.5304 0.2668 0.7406 0.1144 2.3307 1.2145 0.7617 1.0706 0.1344 1.8358
TG(15:0_18:1_18:3)+NH4 1.4306 0.0591 1.2403 0.3991 0.9070 1.7310 1.1630 1.5021 0.5336 1.0343
TG(15:0_18:1D7_15:0)+Na 1.8424 0.0514 1.0472 0.4367 0.1072 1.3732 1.3732 1.3831 0.5779 1.8079
TG(15:0_18:1D7_15:0)+NH4 1.0605 1.4397 0.4053 0.0396 3.3889 0.7228 0.3312 0.5563 0.0412 2.0144
TG(15:0_18:2_18:3)+H 1.5623 0.0411 1.2083 0.4720 0.6348 1.7228 1.3357 1.5292 0.6254 0.8685
TG(15:0_18:2_18:3)+Na 1.5949 0.2361 0.8602 0.1199 1.9591 1.4191 0.7723 1.1302 0.1438 1.7644
TG(15:0_18:2_18:3)+NH4 1.4556 0.0477 1.2210 0.4364 0.7770 1.7281 1.2690 1.4910 0.6004 0.9738
TG(15:0_18:3_18:3)+H 1.4916 0.0303 1.1517 0.5065 0.5758 1.8200 1.4708 1.4893 0.6475 0.8164
TG(15:0_18:3_18:3)+Na 2.3368 0.1923 0.5242 0.0870 2.1544 0.8702 0.4912 0.8070 0.0877 2.4491
TG(15:0_18:3_18:3)+NH4 1.4333 0.0347 1.1983 0.4964 0.5874 1.8004 1.4362 1.5566 0.6432 0.8136
TG(15:0_18:3_18:3)+NH4_1 1.9050 0.0679 0.4303 0.5009 0.7275 1.7243 1.4435 0.9459 0.4812 1.7736
TG(15:0_22:6_22:6)+NH4 1.9351 0.0527 0.4682 0.6469 0.9136 0.6299 1.4981 0.3484 0.6412 2.8658
TG(16:0_11:1_11:1)+H 1.5873 0.1048 0.8820 0.5120 0.8510 1.5993 1.2890 1.1052 0.5776 1.4919
TG(16:0_12:0_14:0)+NH4 1.2985 1.9908 0.2107 0.1258 2.5350 0.3691 0.6789 0.3772 0.1511 2.2629
TG(16:0_12:0_16:0)+NH4 1.5587 1.2989 0.3461 0.2170 2.1202 0.3469 0.9134 0.3830 0.2765 2.5392
TG(16:0_13:0_14:0)+NH4 0.3240 4.6718 0.1293 0.0519 1.9201 0.1706 0.3620 0.1291 0.2905 1.9507
TG(16:0_14:0_16:0)+Na 0.6834 2.5799 0.0000 0.0399 3.0801 0.1880 0.1740 0.1449 0.0000 3.1098
TG(16:0_14:0_16:0)+NH4 1.6592 0.5808 0.5448 0.2656 1.4633 0.6866 1.1977 0.7024 0.3782 2.5214
TG(16:0_14:0_16:1)+NH4 1.5981 0.6412 0.6237 0.3722 1.3935 0.8010 1.4286 0.8458 0.5477 1.7482
TG(16:0_14:0_18:2)+NH4 1.2933 0.2604 0.8913 0.4707 1.1011 1.1477 1.5730 1.1011 0.6525 1.5089
TG(16:0_14:0_18:3)+H 1.5115 0.0556 1.1336 0.4189 1.0514 1.4868 1.2897 1.3554 0.5882 1.1089
TG(16:0_14:0_18:3)+Na 1.2548 0.0274 1.3159 0.5209 0.5957 1.7440 1.5107 1.5832 0.8562 0.5912
TG(16:0_14:0_18:3)+NH4 1.4595 0.1025 1.1195 0.3987 1.1006 1.4359 1.3320 1.3367 0.5952 1.1195
TG(16:0_14:1_18:3)+Na 0.7329 0.0259 1.8192 0.4618 0.5431 2.3265 1.0408 2.0641 0.6210 0.3647
TG(16:0_14:1_18:3)+NH4 1.2988 0.0461 1.0409 0.4918 0.3858 1.5662 1.6330 1.5280 0.7965 1.2128
TG(16:0_14:2_18:3)+NH4 0.0830 0.0034 2.3747 0.6895 0.0931 2.3395 0.3254 2.8144 1.0660 0.2111
TG(16:0_14:3_18:3)+NH4 0.9097 0.0172 1.9311 0.1148 0.6403 2.2411 1.1688 2.0632 0.7369 0.1768
TG(16:0_16:0_16:0)+Na 0.6224 0.4906 1.4219 0.4919 1.4402 0.9398 0.4601 1.9345 0.5388 1.6599
TG(16:0_16:0_16:0)+NH4 2.1806 0.3263 0.0494 0.0273 1.1319 1.2235 2.0558 0.0704 0.0634 2.8714
TG(16:0_16:0_16:1)+NH4 1.5276 0.2975 0.8268 0.4815 0.8873 1.1394 1.4268 1.0739 0.6756 1.6637
TG(16:0_16:0_17:0)+Na 2.2197 0.1551 0.7491 0.1517 1.1656 1.1399 1.2856 1.0199 0.2623 1.8512
TG(16:0_16:0_17:0)+Na_1 0.7733 0.4339 0.3428 0.1494 1.1482 1.1229 1.2664 1.0047 0.0691 3.6894
TG(16:0_16:0_17:0)+NH4 1.9404 0.1259 0.7416 0.3051 0.4305 1.0075 2.5934 0.5364 0.2575 2.0617
TG(16:0_16:0_17:0)+NH4_1 0.7221 0.2150 1.2658 0.1672 0.2866 0.5175 4.4264 0.4681 0.4506 1.4808
TG(16:0_16:0_18:1)+Na 1.5237 0.3594 0.7083 0.2438 1.6330 1.2400 0.9037 1.0950 0.2501 2.0429
TG(16:0_16:0_18:1)+Na_1 1.4550 0.0849 1.0007 0.4306 0.9876 1.4484 1.4484 1.3562 0.5899 1.1982
TG(16:0_16:0_18:1)+NH4 6.3625 0.0037 0.0544 0.9318 0.0240 1.1986 1.2971 0.0727 0.0339 0.0214
TG(16:0_16:0_18:1)+NH4_1 0.1377 0.0069 0.2403 0.0899 0.0399 0.1461 0.1930 4.0497 5.0148 0.0817
TG(16:0_16:0_18:1)+NH4_2 1.6742 0.1010 0.8539 0.4507 0.6962 1.2975 1.4929 1.2864 0.5706 1.5766
TG(16:0_16:0_18:2)+Na 1.5160 0.0554 1.0759 0.4466 0.7933 1.5594 1.3747 1.4671 0.6303 1.0813
TG(16:0_16:0_18:3)+H 1.4131 0.0639 1.2239 0.4006 0.9069 1.7523 1.3320 1.3959 0.4055 1.1059
TG(16:0_16:0_18:3)+H_1 1.6189 0.1037 0.9727 0.4282 0.9805 0.8421 1.2925 1.4623 1.2899 1.0092
TG(16:0_16:0_18:3)+Na 1.4116 0.0496 1.1115 0.4524 0.7225 1.7117 1.4672 1.5395 0.6391 0.8948
TG(16:0_16:0_18:3)+NH4 1.2229 0.1300 0.6037 0.3367 0.7875 2.4380 0.7720 1.2848 0.4508 1.9736
TG(16:0_16:0_18:3)+NH4_1 1.2465 0.0826 2.0382 0.3800 0.5791 0.5927 2.6468 1.2103 0.5655 0.6583
TG(16:0_16:0_18:3)+NH4_2 1.3980 0.0109 2.2187 0.5248 0.1128 1.7104 1.3397 1.5092 0.2118 0.9638
TG(16:0_16:0_20:5)+NH4 2.0225 0.0696 1.0751 0.5203 0.7265 1.2122 1.1869 1.0073 0.6360 1.5435
TG(16:0_16:0_21:0)+NH4 1.4154 0.1340 0.9870 0.2252 0.4816 0.3040 1.9043 1.2030 0.9650 2.3804
TG(16:0_16:0_22:0)+Na 2.0102 0.2518 0.6476 0.3202 0.7564 0.8434 1.9376 0.7968 0.5709 1.8651
TG(16:0_16:0_22:0)+NH4 2.1048 0.2250 0.5400 0.3643 0.6358 0.8666 1.9596 0.5908 0.9856 1.7274
TG(16:0_16:0_22:6)+H 1.5963 0.2868 0.7429 0.1488 1.7043 1.1822 0.8245 1.0862 0.1956 2.2324
TG(16:0_16:0_23:0)+Na 3.1045 0.2612 0.2669 0.9183 1.0321 0.8078 0.5226 1.3409 0.2909 1.4547
TG(16:0_16:0_23:0)+Na_1 2.0403 0.2901 0.6870 0.1073 0.6570 0.7787 2.3211 0.2115 0.8479 2.0590
TG(16:0_16:0_23:0)+NH4 2.0796 0.1789 0.6136 0.7848 0.2893 0.7360 2.2080 0.7480 1.3179 1.0441
TG(16:0_16:0_23:0)+NH4_1 1.6502 0.3146 0.4627 0.3886 0.6663 0.4503 2.1561 0.4688 1.2677 2.1746
TG(16:0_16:0_24:1)+Na 1.8850 0.1289 0.7923 0.6680 0.4925 0.9684 1.9679 0.9736 0.8907 1.2325
TG(16:0_16:0_24:1)+NH4 1.4801 0.1018 0.8181 0.9555 0.3803 0.8494 2.2421 0.9430 1.3552 0.8743
TG(16:0_16:1_18:1)+Na 1.5787 0.3940 0.7123 0.1574 1.6469 1.1089 0.8967 0.8891 0.2364 2.3794
TG(16:0_16:1_18:1)+NH4 0.2140 0.0010 0.1607 1.6199 0.0716 0.1205 1.0536 4.1946 2.2520 0.3121
TG(16:0_16:1_18:1)+NH4_1 1.6261 0.0898 0.9422 0.4394 0.7877 1.3263 1.4531 1.2340 0.6251 1.4762
TG(16:0_16:1_18:3)+NH4 1.1092 0.0293 1.1257 0.4231 0.8874 1.6885 1.4420 1.3763 0.6696 1.2489
TG(16:0_17:0_18:1)+Na 1.8650 0.1367 0.9075 0.2525 0.7550 1.2481 1.1361 1.3481 0.3096 2.0413
TG(16:0_17:0_18:1)+NH4 1.9044 0.0217 1.1263 0.9153 0.3587 1.6116 2.0073 0.7649 0.4906 0.7992
TG(16:0_17:0_18:1)+NH4_1 2.4915 0.0017 0.0802 0.0259 0.0111 2.3427 0.0983 4.9086 0.0114 0.0287
TG(16:0_17:0_18:3)+H 1.4675 0.0406 1.1782 0.4385 0.7278 1.6435 1.2259 1.4973 0.6055 1.1752
TG(16:0_17:0_18:3)+Na 1.5868 0.2543 0.7899 0.1174 1.8674 1.1918 0.7414 1.1745 0.1493 2.1272
TG(16:0_17:0_18:3)+NH4 1.4816 0.0684 1.0739 0.4505 0.8058 1.4974 1.3943 1.3150 0.6250 1.2881
TG(16:0_17:0_18:3)+NH4_1 0.2490 0.0446 2.8875 0.9534 0.6728 0.1872 2.7366 0.3340 0.5082 1.4266
TG(16:0_17:0_22:6)+NH4 1.8487 0.0070 0.8185 0.4552 0.0869 1.2170 1.1891 0.9383 0.5500 2.8892
TG(16:0_17:1_18:1)+Na 1.7318 0.2436 0.7435 0.1620 1.4084 1.2150 0.9127 1.0820 0.2191 2.2819
TG(16:0_17:1_18:1)+NH4 0.2443 0.0097 3.6757 2.2690 0.0227 0.0953 0.0787 1.8832 1.6942 0.0272
TG(16:0_17:1_18:1)+NH4_1 1.6836 0.0976 0.9024 0.5139 0.5715 1.4340 1.4060 1.3203 0.6144 1.4562
TG(16:0_17:1_18:3)+NH4 1.2500 0.0598 0.7797 0.4137 0.7916 1.6369 1.6041 1.3839 0.6488 1.4315
TG(16:0_18:1_18:1)+H 1.4955 0.0753 0.9308 0.5595 0.5490 1.7779 1.3439 1.3857 0.7164 1.1661
TG(16:0_18:1_18:1)+Na 1.5368 0.0969 1.0134 0.4371 0.9243 1.5090 1.3030 1.3475 0.5624 1.2696
TG(16:0_18:1_18:1)+Na_1 1.5704 0.2555 0.8075 0.1289 1.6407 1.3711 0.9821 1.1508 0.1242 1.9688
TG(16:0_18:1_18:1)+NH4 0.0981 0.0144 0.0168 0.2084 0.0404 4.4606 4.5287 0.0616 0.5005 0.0705
TG(16:0_18:1_18:1)+NH4_1 1.6861 0.0829 1.0504 0.5715 0.7947 1.7069 1.7691 1.4374 0.1893 0.7118
TG(16:0_18:1_18:1)+NH4_2 1.6074 0.0791 1.0013 0.5448 0.7576 1.6271 1.6864 1.3702 0.2655 1.0606
TG(16:0_18:1_18:1)+NH4_3 0.2271 0.0073 0.2088 2.9453 0.0292 4.5930 0.0960 0.2547 1.3811 0.2576
TG(16:0_18:1_18:2)+H 1.5044 0.0679 1.0468 0.5062 0.7647 1.5013 1.5592 1.4511 0.2131 1.3853
TG(16:0_18:1_18:2)+Na 1.5645 0.3058 0.7281 0.1447 1.8468 1.1587 0.8093 1.0646 0.1894 2.1880
TG(16:0_18:1_18:2)+NH4 1.5174 0.0741 0.9306 0.4659 0.8120 1.4107 1.3929 1.3692 0.6461 1.3811
TG(16:0_18:1_18:2)+NH4_1 0.5624 0.0201 0.0796 0.1239 0.2697 0.3098 0.7568 0.0199 0.3660 7.4918
TG(16:0_18:1_18:3)+H 1.5237 0.3594 0.7083 0.2438 1.6330 1.2400 0.9037 1.0950 0.2501 2.0429
TG(16:0_18:1_18:3)+H_1 1.4657 0.0778 1.0013 0.4283 0.9952 1.4959 1.3270 1.3933 0.5489 1.2667
TG(16:0_18:1_18:3)+Na 1.4105 0.4244 0.5812 0.1092 2.3712 1.0555 0.7199 1.0056 0.1581 2.1644
TG(16:0_18:1_18:3)+NH4 1.4050 0.1005 1.0324 0.3923 1.0189 1.5172 1.2883 1.4005 0.5297 1.3152
TG(16:0_18:1_18:3)+NH4_1 0.1197 0.0325 0.0863 0.1675 9.1749 0.1620 0.1279 0.0447 0.0549 0.0296
TG(16:0_18:1_20:5)+H 1.4105 0.5477 0.3328 0.4408 2.1157 0.6766 0.9300 0.4474 0.3438 2.7548
TG(16:0_18:1_20:5)+NH4 1.3978 0.1174 0.6010 0.4425 1.1810 1.0241 1.2558 0.6690 0.5307 2.7807
TG(16:0_18:1_21:0)+Na 2.1158 0.0974 0.7178 0.5436 0.4338 0.8800 1.8724 0.9112 0.9050 1.5229
TG(16:0_18:1_21:0)+NH4 1.7411 0.0982 0.7220 0.9654 0.3581 0.8095 1.8153 0.8829 1.2130 1.3945
TG(16:0_18:1_22:0)+NH4 1.0274 0.0759 0.3539 0.9129 0.3455 2.0776 1.8023 1.2682 1.5153 0.6210
TG(16:0_18:1_22:1)+Na 1.6802 0.0913 0.9612 0.5650 0.6053 1.1739 1.7169 1.1629 0.7374 1.3060
TG(16:0_18:1_22:1)+NH4 0.1687 0.1502 0.1352 3.8257 0.0268 0.2292 0.1544 0.1074 5.1264 0.0759
TG(16:0_18:1_22:1)+NH4_1 1.4426 0.0542 0.9279 1.0159 0.3860 0.9888 2.0657 1.0227 1.1581 0.9380
TG(16:0_18:1_22:6)+Na 1.3018 0.5068 0.1546 0.0723 2.3479 0.4173 0.4661 0.1929 0.0886 4.4517
TG(16:0_18:1_22:6)+NH4 1.3284 0.2087 0.3927 0.3966 2.3333 0.6969 1.0396 0.4620 0.4351 2.7068
TG(16:0_18:1_23:0)+Na 1.6701 0.1891 0.6866 0.8687 0.4732 0.6808 2.2385 0.7226 1.1714 1.2990
TG(16:0_18:1_23:0)+NH4 1.4882 0.1409 0.6796 1.0167 0.3543 0.6625 2.3443 0.6730 1.6463 0.9943
TG(16:0_18:1_24:1)+Na 1.5912 0.0857 0.9366 0.7504 0.5481 0.9952 2.0116 1.0697 1.0377 0.9739
TG(16:0_18:1_24:1)+NH4 1.3368 0.0718 0.8362 1.2072 0.3763 1.0541 2.4675 0.8775 0.9717 0.8009
TG(16:0_18:2_18:2)+Na 1.4796 0.0665 1.1472 0.4128 0.7782 1.8267 1.3116 1.4102 0.4676 1.0997
TG(16:0_18:2_18:2)+NH4 0.9640 0.0035 0.7197 0.2173 4.9555 0.9218 0.5979 0.8964 0.3653 0.3586
TG(16:0_18:2_18:3)+NH4 1.1466 0.0460 0.7022 0.2709 0.9730 1.1992 1.1045 0.9941 2.9717 0.5917
TG(16:0_18:2_18:3)+NH4_1 0.0279 0.0012 0.0193 1.2548 0.0118 8.6358 0.0159 0.0155 0.0089 0.0089
TG(16:0_18:2_21:0)+Na 1.9033 0.0760 0.8657 0.5161 0.5349 1.0932 1.4317 1.0876 0.6159 1.8756
TG(16:0_18:2_21:0)+NH4 0.4744 0.0407 1.1323 1.3400 0.0176 1.4070 0.9447 1.2864 1.6616 1.6951
TG(16:0_18:2_23:0)+NH4 1.4620 0.0614 0.7340 1.1756 0.3195 0.7762 2.1101 0.8290 1.5750 0.9571
TG(16:0_18:3_18:3)+H 1.4132 0.0509 1.0955 0.4459 0.7942 1.6925 1.4460 1.5337 0.6409 0.8873
TG(16:0_18:3_18:3)+H_1 1.4944 0.7700 0.5358 0.1240 2.1861 0.9919 0.6421 0.9462 0.1364 2.1731
TG(16:0_18:3_18:3)+H_2 1.2196 0.2662 0.5903 0.0896 2.4392 1.1387 0.9299 1.0916 0.1664 2.0686
TG(16:0_18:3_18:3)+Na 2.6663 0.4119 0.0343 0.1343 3.1901 0.2285 0.1090 0.2047 0.0212 2.9996
TG(16:0_18:3_18:3)+NH4 1.3772 0.0096 0.9244 0.4129 0.9349 1.7168 1.2242 1.5596 0.5765 1.2640
TG(16:0_18:3_18:3)+NH4_1 1.4193 0.0494 1.0973 0.4448 0.7622 1.7018 1.4127 1.5704 0.6157 0.9265
TG(16:0_18:3_20:5)+H 1.9603 0.0321 0.9408 0.4959 0.2822 1.5757 1.2605 1.3161 0.5654 1.5710
TG(16:0_18:3_20:5)+Na 1.8099 0.1944 0.6971 0.1394 1.7228 1.3273 0.8848 1.1262 0.1609 1.9373
TG(16:0_18:3_20:5)+NH4 1.9442 0.0537 1.0764 0.6227 0.8711 1.2652 0.9870 1.3977 0.4670 1.3149
TG(16:0_18:3_22:6)+Na 0.9058 0.3709 0.4037 0.1715 3.1055 0.8661 1.1801 0.7091 0.0618 2.2256
TG(16:0_18:3_22:6)+NH4 1.9351 0.0670 0.6874 0.5776 0.8780 1.2246 1.4556 0.7394 0.5464 1.8889
TG(16:0_18:3_24:0)+H 1.7759 0.4138 0.6352 0.3355 0.7739 0.6240 2.1852 0.7716 1.0535 1.4314
TG(16:0_18:3_24:1)+H 1.8850 0.1289 0.7923 0.6680 0.4925 0.9684 1.9679 0.9736 0.8907 1.2325
TG(16:0_20:4_22:6)+NH4 2.0021 0.1069 0.4200 0.3983 1.2100 0.6485 1.3950 0.4091 0.4505 2.9597
TG(16:0_20:5_22:0)+NH4 2.4939 0.0886 0.0618 0.4921 1.5457 1.4603 1.7448 0.4078 0.5196 1.1853
TG(16:0_20:5_22:6)+Na 1.9200 0.3006 0.2386 0.1236 2.3225 0.5309 0.7224 0.4049 0.0667 3.3698
TG(16:0_20:5_22:6)+NH4 2.0477 0.0857 0.5230 0.6797 1.1559 0.7846 1.3569 0.5687 0.5033 2.2945
TG(16:0_21:0_22:5)+NH4 1.8508 0.0234 0.5159 1.2225 0.6825 0.4938 1.5116 0.5340 0.9575 2.2081
TG(16:0_21:0_22:6)+NH4 2.2835 0.0768 0.0626 0.6696 1.0093 0.3637 2.0161 0.0424 0.8262 2.6496
TG(16:0_22:0_22:6)+NH4 2.3963 0.0301 0.3584 0.8659 0.3689 0.5546 1.9699 0.3165 1.0726 2.0667
TG(16:0_22:1_22:6)+NH4 1.5416 0.1185 0.6005 0.7159 1.1315 0.9484 1.7009 0.5639 0.7745 1.9042
TG(16:0_22:6_22:6)+H 1.5842 0.3767 0.6619 0.5527 1.1301 1.1107 1.4364 0.4313 0.4805 2.2355
TG(16:0_22:6_22:6)+Na 1.5855 0.4236 0.1717 0.1119 2.2679 0.3831 0.6900 0.2161 0.0406 4.1096
TG(16:0_22:6_22:6)+NH4 1.6930 0.1509 0.3865 0.5325 1.4722 0.6662 1.3373 0.3460 0.4588 2.9567
TG(16:0_22:6_24:1)+NH4 1.3359 0.0686 0.4249 1.0213 0.7190 0.8926 2.2265 0.5270 1.2113 1.5728
TG(16:1_13:0_14:0)+NH4 1.5093 1.6985 0.2177 0.1276 2.3827 0.3828 0.7325 0.3381 0.2805 2.3304
TG(16:1_13:0_18:3)+NH4 1.3674 0.0389 1.2841 0.5053 0.5143 1.6527 1.5041 1.5487 0.7223 0.8620
TG(16:1_14:0_14:1)+NH4 1.4980 0.8286 0.5168 0.3511 1.9276 0.4710 1.4631 0.6106 0.4732 1.8600
TG(16:1_14:0_16:1)+NH4 1.4081 0.5016 0.6947 0.3801 1.5234 0.8536 1.6168 0.7695 0.7009 1.5514
TG(16:1_14:0_18:3)+H 1.1986 0.0109 1.0302 0.4725 0.6895 1.8821 1.5651 1.2680 0.6746 1.2085
TG(16:1_14:0_18:3)+NH4 1.3997 0.0429 1.1641 0.4227 0.7899 1.5452 1.7046 1.4066 0.6305 0.8939
TG(16:1_14:1_16:1)+NH4 1.5714 0.0935 0.9563 0.4728 0.7253 1.2571 1.9313 1.2034 0.7226 1.0664
TG(16:1_16:1_18:3)+H 1.2720 0.0421 1.1153 0.5114 0.7298 1.6986 1.5727 1.5778 0.6733 0.8069
TG(16:1_16:1_18:3)+Na 1.2901 0.2330 0.8079 0.1259 2.2608 1.2650 0.9957 1.2024 0.1534 1.6658
TG(16:1_16:1_18:3)+NH4 1.3007 0.0408 1.2203 0.4659 0.7627 1.7556 1.4560 1.5559 0.6379 0.8043
TG(16:1_18:1_18:3)+H 1.5160 0.0554 1.0759 0.4466 0.7933 1.5594 1.3747 1.4671 0.6303 1.0813
TG(16:1_18:1_18:3)+Na 2.1081 0.3685 0.8078 0.0151 2.3915 1.4562 0.0112 0.1295 0.1789 2.5332
TG(16:1_18:1_18:3)+NH4 1.6907 0.0635 1.2207 0.4889 0.9338 0.4144 1.5869 1.6479 0.6897 1.2634
TG(16:1_18:3_18:3)+H 1.1607 0.0274 1.3216 0.5148 0.5183 1.8847 1.4480 1.7468 0.7470 0.6309
TG(16:1_18:3_18:3)+Na 1.5286 0.1240 0.9545 0.1611 1.4874 1.6424 0.9811 1.5359 0.1994 1.3857
TG(16:1_18:3_18:3)+NH4 1.5181 0.0495 1.2116 0.3990 0.6657 1.7957 1.2860 1.6125 0.6294 0.8325
TG(16:1_18:3_18:3)+NH4_1 1.1315 0.0284 1.3770 0.5145 0.5353 1.8997 1.3742 1.7749 0.7280 0.6365
TG(16:2e_18:1_18:3)+Na 1.6434 0.0764 0.9297 0.4835 0.7921 1.5861 1.2135 1.4523 0.6956 1.1275
TG(16:2e_18:3_18:3)+Na 1.6175 0.0260 1.1190 0.5926 0.3529 1.6763 1.4999 1.5881 0.8146 0.7132
TG(17:0_14:2_18:3)+NH4 0.7045 0.0032 0.4873 1.3346 0.1617 1.4835 3.6623 0.2446 1.7287 0.1896
TG(17:0_18:1_18:1)+Na 1.9070 0.1100 0.9946 0.2610 0.8441 1.4720 1.1922 1.1052 0.3268 1.7871
TG(17:0_18:1_18:1)+NH4 1.7100 0.7869 0.9758 0.0233 0.0016 1.3414 1.5118 1.2453 0.8271 1.5768
TG(17:0_18:1_18:1)+NH4_1 1.5897 0.0011 0.9872 0.6518 0.3609 1.3830 1.6373 1.3655 0.8060 1.2177
TG(17:0_18:1_18:3)+H 1.8650 0.1367 0.9075 0.2525 0.7550 1.2481 1.1361 1.3481 0.3096 2.0413
TG(17:0_18:1_18:3)+H_1 1.3721 0.0464 1.1186 0.4517 0.6069 1.6133 1.7363 1.4612 0.5962 0.9972
TG(17:0_18:1_18:3)+Na 2.0535 0.2569 1.1057 0.1504 0.9615 1.7960 1.0130 1.5178 0.1768 0.9684
TG(17:0_18:1_18:3)+NH4 1.6320 0.0435 1.0111 0.4232 0.6357 1.4788 1.9926 1.1989 0.4331 1.1511
TG(17:0_18:1_18:3)+NH4_1 1.1530 0.0545 1.1414 0.5200 0.7287 1.6257 1.5565 1.5450 0.5557 1.1195
TG(17:0_18:1_20:4)+H 1.9070 0.1100 0.9946 0.2610 0.8441 1.4720 1.1922 1.1052 0.3268 1.7871
TG(17:0_18:1_20:5)+NH4 1.9952 0.1052 0.8429 0.3627 1.3533 1.2451 1.1136 1.0827 0.5073 1.3920
TG(17:0_18:1_22:6)+NH4 2.0051 0.0522 0.5610 0.5375 0.7733 0.9812 1.3545 0.5983 0.6303 2.5064
TG(17:0_18:2_22:6)+NH4 1.7589 0.0746 0.5692 0.5106 0.9679 0.8539 1.1939 0.7632 0.5469 2.7609
TG(17:0_18:3_18:3)+H 1.4138 0.0342 1.2004 0.4378 0.5131 1.8045 1.4499 1.6319 0.6716 0.8426
TG(17:0_18:3_18:3)+H_1 1.5868 0.2543 0.7899 0.1174 1.8674 1.1918 0.7414 1.1745 0.1493 2.1272
TG(17:0_18:3_18:3)+Na 1.9071 0.1535 0.7839 0.1341 1.7051 1.3011 0.9132 1.2566 0.1200 1.7253
TG(17:0_18:3_18:3)+NH4 1.6453 0.0460 1.1452 0.4196 0.6871 1.7222 1.2816 1.5491 0.5770 0.9267
TG(17:0_18:3_22:5)+NH4 1.6649 0.0596 1.4560 0.7606 0.3689 1.4658 2.2852 0.7427 1.0136 0.1828
TG(17:0_18:3_22:6)+NH4 1.9185 0.0365 0.6929 0.6252 0.7200 1.1398 1.4671 0.7832 0.6873 1.9297
TG(17:0_20:1_22:6)+NH4 2.0734 0.0767 0.5361 0.5823 1.0048 0.8521 1.3953 0.4473 0.5894 2.4427
TG(17:0_20:4_22:0)+H 1.6701 0.1891 0.6866 0.8687 0.4732 0.6808 2.2385 0.7226 1.1714 1.2990
TG(17:0_20:4_22:6)+NH4 2.6344 0.0629 0.4329 0.6208 0.8863 0.7352 1.2825 0.5555 0.6984 2.0912
TG(17:0_20:5_22:6)+NH4 1.6594 0.0682 0.3057 0.7278 1.0813 0.4907 1.7259 0.2936 0.4492 3.1982
TG(17:0_22:1_22:6)+NH4 2.0945 0.0532 0.4798 0.6459 0.5936 0.6674 1.8546 0.3814 0.8243 2.4052
TG(17:0_22:6_22:6)+NH4 1.8790 0.0503 0.3345 0.4979 1.0710 0.5073 1.2213 0.2250 0.5543 3.6593
TG(17:0_22:6_24:1)+NH4 1.2356 0.0382 0.6429 1.1126 0.4199 0.7100 2.5382 0.4065 1.6661 1.2300
TG(18:0_10:0_11:3)+H 1.7161 0.5696 0.5987 0.2148 1.7985 1.0932 0.7635 0.8556 0.2642 2.1258
TG(18:0_11:1_11:1)+H 1.3917 0.1042 0.8917 0.6517 0.8192 1.6083 1.3167 1.2583 0.7583 1.2000
TG(18:0_16:0_16:0)+Na 1.6962 0.0754 1.1051 0.5409 0.3726 1.6353 1.6353 1.5404 0.7451 0.6538
TG(18:0_16:0_16:0)+Na_1 1.7929 0.2319 0.8027 0.1108 0.9413 1.2061 1.0065 1.0391 0.3138 2.5549
TG(18:0_16:0_16:0)+NH4 1.8420 0.1002 0.7571 0.3019 0.5586 0.9926 1.8513 1.0018 0.6694 1.9251
TG(18:0_16:0_16:1)+H 1.6845 0.9626 1.5681 0.0623 2.1503 2.6548 0.1886 0.3773 0.1296 0.2220
TG(18:0_16:0_17:0)+Na 2.6792 0.0277 0.9193 0.1031 0.7552 0.4479 1.9306 0.7158 0.2344 2.1867
TG(18:0_16:0_17:0)+NH4 0.7780 0.0803 0.2430 0.4884 0.1792 0.2847 3.2970 0.3052 1.5217 2.8225
TG(18:0_16:0_17:0)+NH4_1 1.8032 0.0639 0.6640 0.3886 0.0990 0.4759 2.6235 0.4251 1.2108 2.2459
TG(18:0_16:0_18:0)+Na 1.8907 0.1795 0.7084 0.3457 0.6551 1.0013 1.7469 0.9320 0.6498 1.8907
TG(18:0_16:0_18:0)+NH4 1.7480 0.1557 0.6412 0.3239 0.4705 0.8367 2.2616 0.8533 1.0438 1.6651
TG(18:0_16:0_18:1)+Na 1.7759 0.1179 0.9109 0.3896 0.8507 1.3663 1.3634 1.1687 0.2950 1.7616
TG(18:0_16:0_18:1)+NH4 1.6897 0.0614 0.8973 0.6106 0.4378 1.2801 1.7665 1.2135 0.7770 1.2660
TG(18:0_16:0_18:1)+NH4_1 0.6406 0.0439 7.4066 0.0412 0.0545 0.4738 0.5305 0.1988 0.3039 0.3062
TG(18:0_16:0_22:0)+Na 1.7759 0.4138 0.6352 0.3355 0.7739 0.6240 2.1852 0.7716 1.0535 1.4314
TG(18:0_16:0_22:0)+NH4 1.7445 0.3262 0.6373 0.5326 0.6463 0.6792 2.1095 0.7032 1.2238 1.3974
TG(18:0_16:0_23:0)+Na 1.2170 0.6780 0.5743 0.4248 1.0257 0.5314 2.0051 0.5245 1.2054 1.8139
TG(18:0_16:0_23:0)+NH4 1.1060 0.1850 0.4846 0.3398 1.0758 0.4434 3.1269 0.8255 1.2769 1.1361
TG(18:0_17:0_18:0)+NH4 1.6580 0.0654 0.5350 1.4369 0.6676 0.7560 1.7597 0.6146 1.1009 1.4060
TG(18:0_17:0_18:1)+Na 1.8546 0.0834 0.7824 0.4925 0.4805 1.1080 1.5965 1.1120 0.5679 1.9222
TG(18:0_17:0_18:1)+NH4 0.5460 0.0437 0.2278 1.5750 0.4100 0.8505 3.3336 0.3360 2.0632 0.6142
TG(18:0_18:0_18:1)+H 1.6298 1.3989 0.7833 0.1753 0.0382 1.1186 0.8520 1.1103 0.1918 2.7017
TG(18:0_18:0_18:1)+Na 1.9781 0.1161 0.8068 0.4827 0.7730 1.1882 1.5292 1.1747 0.6245 1.3266
TG(18:0_18:0_18:1)+NH4 1.4542 0.0618 0.7502 0.8329 0.4924 1.0246 2.1417 0.9221 1.0907 1.2295
TG(18:0_18:0_20:1)+H 1.3958 1.5318 0.7822 0.2012 0.0137 1.1330 0.9698 1.0423 0.2293 2.7010
TG(18:0_18:0_20:1)+H_1 1.8677 1.5461 0.8688 0.2449 0.0008 1.1904 1.1493 1.1767 0.2791 1.6761
TG(18:0_18:0_22:6)+NH4 2.0180 0.0415 0.4332 0.6776 0.5702 0.6646 1.9625 0.4406 0.8220 2.3698
TG(18:0_18:1_18:1)+Na 1.7534 0.1232 0.9190 0.3037 1.0317 1.3041 1.1945 1.2164 0.3695 1.7847
TG(18:0_18:1_18:1)+Na_1 2.3985 0.0407 0.7549 0.4401 0.4875 1.0948 1.1366 1.4820 0.1761 1.9890
TG(18:0_18:1_18:1)+NH4 0.0354 0.0028 2.7146 0.0178 0.0093 0.0541 4.3704 2.7339 0.0526 0.0092
TG(18:0_18:1_18:1)+NH4_1 1.6715 0.0566 0.9690 0.6721 0.5049 1.3676 1.5896 1.1805 0.8311 1.1572
TG(18:0_18:1_18:3)+H 1.6227 0.0713 1.0130 0.4493 0.7767 1.5571 1.3695 1.2944 0.6078 1.2382
TG(18:0_18:1_18:3)+Na 1.6333 0.3084 0.7422 0.1411 1.8163 1.2008 0.7984 1.0662 0.1503 2.1430
TG(18:0_18:1_18:3)+NH4 1.5002 0.0893 1.0148 0.4219 0.8825 1.4616 1.3182 1.3237 0.5482 1.4395
TG(18:0_18:1_20:4)+NH4 2.1544 0.1034 1.0063 0.2538 1.1827 1.5803 0.9440 0.3130 0.2386 2.2235
TG(18:0_18:1_22:5)+NH4 1.2264 0.2898 0.2379 0.3112 2.8218 0.1708 1.8609 0.6483 0.1754 2.2575
TG(18:0_18:1_22:6)+H 1.6938 0.0514 0.9539 0.1058 1.2371 1.3065 1.0348 1.2082 0.2636 2.1448
TG(18:0_18:1_22:6)+H_1 1.6902 0.1866 0.4200 0.6294 1.3065 0.7756 1.3895 0.5319 0.8306 2.2397
TG(18:0_18:1_22:6)+NH4 1.5485 0.1352 0.4940 0.5952 1.2237 0.9517 1.4805 0.5295 0.6927 2.3491
TG(18:0_18:3_24:1)+H 1.4532 1.4007 0.4832 0.6119 0.7450 0.7494 1.6983 0.7135 0.9192 1.2256
TG(18:0_20:4_22:6)+H 1.4771 0.2923 0.2623 0.1158 2.3768 0.6796 0.7218 0.3451 0.1377 3.5915
TG(18:0_20:5_22:0)+H 1.5912 0.0857 0.9366 0.7504 0.5481 0.9952 2.0116 1.0697 1.0377 0.9739
TG(18:0_20:5_22:6)+NH4 1.6961 0.2084 0.2980 0.4768 2.1934 0.4155 1.1342 0.2398 0.4053 2.9325
TG(18:0_22:0_22:6)+NH4 0.7647 0.0264 0.3373 1.6271 0.3220 0.4843 3.7512 0.2273 1.2915 1.1683
TG(18:0_22:5_22:6)+NH4 1.2815 0.3413 0.2018 0.4332 2.8386 0.1953 1.1863 0.0354 0.4676 3.0191
TG(18:0_22:6_22:6)+NH4 1.0099 0.1588 0.2412 0.4518 1.4517 0.3887 3.1759 0.1854 0.4983 2.4384
TG(18:0_22:6_22:6)+NH4_1 1.7640 0.2672 0.3437 0.0485 2.3995 0.7562 0.7821 0.0615 0.0364 3.5409
TG(18:0_22:6_23:0)+NH4 1.0750 0.0390 0.2022 1.9007 0.3002 0.4056 2.8208 0.2567 2.0460 0.9540
TG(18:0_8:0_11:1)+H 1.7754 0.6162 0.2771 0.0996 2.3128 1.0945 0.4136 0.7597 0.0457 2.6054
TG(18:1_11:1_11:1)+H 1.6449 0.0981 1.0245 0.4675 0.7106 1.7748 1.1255 1.4357 0.5497 1.1687
TG(18:1_11:1_18:3)+NH4 0.3435 0.0747 1.8495 2.8007 0.0563 0.9485 0.2196 1.0437 2.5761 0.0874
TG(18:1_14:0_18:3)+H 1.3396 0.0744 1.1010 0.3731 1.0113 1.7922 1.2845 1.4048 0.5811 1.0378
TG(18:1_14:0_18:3)+Na 1.3742 0.2734 0.5994 0.1016 2.9275 0.9649 0.7821 1.0928 0.1444 1.7397
TG(18:1_14:0_18:3)+NH4 1.2739 0.0677 1.2451 0.3640 1.1110 1.5051 1.1589 1.6146 0.5336 1.1261
TG(18:1_14:1_18:3)+Na 0.8636 0.0173 1.5695 0.6306 0.5072 2.0836 1.3365 1.7854 0.7916 0.4147
TG(18:1_17:1_18:1)+Na 1.5149 0.1396 0.8422 0.2577 1.2686 1.4619 1.1256 1.3374 0.2593 1.7930
TG(18:1_17:1_18:1)+NH4 1.4821 0.0512 1.0315 0.4852 0.6305 1.5399 1.4755 1.3369 0.6519 1.3154
TG(18:1_17:1_18:1)+NH4_1 1.5203 0.0452 2.3406 0.0167 0.3423 0.2701 4.1452 0.2401 0.2756 0.8039
TG(18:1_17:1_18:3)+H 2.0049 0.2803 0.8512 0.0798 1.6355 1.4069 0.2923 0.7351 0.0830 2.6309
TG(18:1_17:1_18:3)+H_1 1.4882 0.0507 1.0451 0.5102 0.7044 1.6170 1.4740 1.4176 0.7026 0.9903
TG(18:1_17:1_18:3)+H_2 1.7318 0.2436 0.7435 0.1620 1.4084 1.2150 0.9127 1.0820 0.2191 2.2819
TG(18:1_17:1_18:3)+Na 1.9737 0.1099 0.7740 0.1095 1.9737 1.4164 0.7972 1.2345 0.2334 1.3777
TG(18:1_17:1_18:3)+NH4 1.5858 0.0639 1.1303 0.4594 0.6633 1.3571 1.4371 1.2580 0.6500 1.3952
TG(18:1_17:1_18:3)+NH4_1 1.4190 0.0537 1.1122 0.4602 0.7449 1.5783 1.2582 1.7111 0.5959 1.0665
TG(18:1_18:1_18:1)+H 1.6257 0.0773 1.0596 0.5695 0.7731 1.7430 1.7050 0.8007 0.2344 1.4117
TG(18:1_18:1_18:1)+Na 2.3688 0.1867 0.6173 0.1355 1.2145 1.1242 0.6976 0.9365 0.1496 2.5695
TG(18:1_18:1_18:1)+Na_1 1.9692 0.0573 1.0720 0.3138 0.8382 1.4953 0.9983 1.1394 0.3770 1.7396
TG(18:1_18:1_18:1)+Na_2 0.5614 0.0207 1.6309 0.4141 0.2086 2.8374 1.4551 0.8973 1.4187 0.5560
TG(18:1_18:1_18:1)+NH4 1.2605 0.0947 0.6531 0.5693 0.8798 1.2689 1.8357 1.5312 0.2995 1.6073
TG(18:1_18:1_18:1)+NH4_1 4.5542 0.0059 1.0829 0.0393 0.0182 0.9863 1.9435 1.3053 0.0493 0.0151
TG(18:1_18:1_18:2)+NH4 1.0334 0.0021 2.6065 1.1146 0.0316 3.7460 1.3622 0.0491 0.0022 0.0523
TG(18:1_18:1_18:3)+H 1.5772 0.0966 0.9871 0.4190 0.9710 1.4538 1.3089 1.2875 0.5418 1.3572
TG(18:1_18:1_18:3)+Na 1.1950 0.5802 0.7057 0.0599 2.5718 1.2248 0.4344 1.1448 0.0605 2.0230
TG(18:1_18:1_18:3)+Na_1 1.5343 0.0240 1.0679 0.4800 0.6639 1.5799 1.3854 1.5343 0.6137 1.1165
TG(18:1_18:1_18:3)+NH4 1.5708 0.0956 0.9818 0.3966 0.9599 1.4574 1.2785 1.3134 0.5018 1.4443
TG(18:1_18:1_20:4)+H 1.5430 0.2039 0.6679 0.1488 1.3336 1.2344 0.7649 1.0294 0.1642 2.9097
TG(18:1_18:1_21:1)+NH4 1.6765 0.0389 0.8044 0.8420 0.3308 0.9397 2.1050 0.9247 1.2179 1.1202
TG(18:1_18:1_22:1)+Na 1.5790 0.0779 1.0493 0.5959 0.5857 1.2581 1.8184 1.1868 0.7691 1.0798
TG(18:1_18:1_22:1)+NH4 1.5555 0.0599 1.1922 1.0950 0.4569 0.4329 2.3946 1.3150 0.5004 0.9977
TG(18:1_18:1_22:5)+NH4 2.1221 0.0979 0.8570 0.6440 1.2406 1.1590 1.7630 0.8570 0.7191 0.5403
TG(18:1_18:1_22:6)+H 1.4488 0.1565 0.4346 0.4998 1.5936 0.7389 1.5502 0.1000 0.5875 2.8903
TG(18:1_18:1_22:6)+NH4 1.7529 0.1753 0.4614 0.5485 1.8283 0.9519 1.5671 0.5090 0.5862 1.6194
TG(18:1_18:1_23:0)+Na 1.3631 0.1099 0.8403 1.1722 0.4647 0.7261 2.1992 0.7905 1.4336 0.9004
TG(18:1_18:1_23:0)+NH4 1.1590 0.1124 0.7822 1.3277 0.3878 0.7055 2.3005 0.7383 1.7111 0.7756
TG(18:1_18:1_24:0)+Na 1.5135 0.1145 0.7401 1.0194 0.5507 0.8280 2.1677 0.8143 1.2869 0.9647
TG(18:1_18:1_24:0)+NH4 1.3732 0.1230 0.8254 0.1447 0.4928 0.8637 2.6316 0.8565 1.8110 0.8780
TG(18:1_18:1_24:1)+Na 1.0873 0.0543 1.4437 1.1076 0.5132 0.9486 1.8385 0.9034 1.3422 0.7613
TG(18:1_18:1_24:1)+NH4 1.0701 0.0508 0.8904 1.1070 0.4043 0.9999 2.2808 0.9342 1.5666 0.6958
TG(18:1_18:2_18:3)+H 1.5566 0.0719 1.0246 0.4578 0.7848 1.5915 1.3604 1.4432 0.6104 1.0988
TG(18:1_18:2_18:3)+Na 2.5164 0.4488 0.8255 0.1699 2.4363 0.5225 0.2805 0.2965 0.1795 2.3241
TG(18:1_18:2_18:3)+NH4 1.5906 0.0720 1.0451 0.4396 0.8343 1.5585 1.3660 1.4210 0.5913 1.0818
TG(18:1_18:2_20:4)+H 1.2800 0.1571 1.5035 0.6975 0.0298 1.6660 1.2258 1.5712 0.8804 0.9888
TG(18:1_18:2_20:4)+Na 2.0631 0.1052 0.9694 0.2270 1.1517 1.5494 0.7151 1.4334 0.1781 1.6074
TG(18:1_18:2_20:4)+NH4 1.5393 0.0416 1.2182 0.5430 0.6233 1.7093 1.0907 1.5299 0.6091 1.0955
TG(18:1_18:2_22:5)+H 1.9508 0.0158 0.6555 0.6060 0.4604 1.0830 1.2408 1.4559 0.7172 1.8145
TG(18:1_18:2_22:5)+NH4 1.8279 0.0122 0.7081 0.4852 1.3449 0.9214 1.2557 0.7200 0.5699 2.1548
TG(18:1_18:2_22:6)+H 1.6014 0.1100 0.6203 0.5851 1.1087 1.0339 1.5222 0.6423 0.5807 2.1953
TG(18:1_18:2_22:6)+Na 1.7827 0.4110 0.1625 0.1018 2.5399 0.4417 0.5821 0.0455 0.0915 3.8414
TG(18:1_18:2_22:6)+NH4 1.7674 0.1130 0.4830 0.5215 1.5364 0.8015 1.2739 0.8435 0.5285 2.1314
TG(18:1_18:2_23:0)+NH4 1.1147 0.0559 0.9533 1.2473 0.3585 0.8156 2.3450 0.8904 1.4648 0.7545
TG(18:1_18:2_24:1)+NH4 1.4166 0.0196 1.6097 1.0528 0.5280 1.0345 1.9639 1.1054 1.0839 0.1857
TG(18:1_18:2_24:1)+NH4_1 0.8586 0.4440 0.9762 0.8815 0.3885 1.3124 2.1841 1.0447 1.2471 0.6627
TG(18:1_18:3_18:3)+H 1.6577 0.0604 1.0468 0.3731 0.7067 1.6511 1.4067 1.4827 0.6175 0.9973
TG(18:1_18:3_18:3)+Na 1.4757 0.3780 0.4937 0.1890 1.7518 1.5819 0.9481 1.2846 0.1879 1.7093
TG(18:1_18:3_18:3)+Na_1 1.8131 0.2496 0.5671 0.1435 2.1568 0.8249 0.4984 0.9237 0.1547 2.6681
TG(18:1_18:3_18:3)+NH4 1.3972 0.0619 0.9178 0.3749 0.7375 1.8520 1.6062 1.6348 0.4138 1.0039
TG(18:1_18:3_18:3)+NH4_1 0.1777 0.0423 0.1280 0.3465 0.6371 1.8946 1.9449 3.9010 0.5924 0.3353
TG(18:1_18:3_18:3)+NH4_2 1.5112 0.0635 0.6977 0.4765 0.7896 0.7249 0.5122 0.9751 2.9100 1.3393
TG(18:1_18:3_18:3)+NH4_3 1.5071 0.1608 1.3320 0.4780 0.7823 1.9664 0.4765 0.4737 0.6129 2.2104
TG(18:1_18:3_20:4)+H 1.4085 0.0208 1.3285 0.6509 0.2796 1.7126 1.3765 1.4459 0.7950 0.9817
TG(18:1_18:3_20:4)+H_1 1.1950 0.5802 0.7057 0.0599 2.5718 1.2248 0.4344 1.1448 0.0605 2.0230
TG(18:1_18:3_20:4)+Na 1.7013 0.0479 0.6960 0.1565 1.4951 1.3257 0.9648 1.4361 0.1624 2.0143
TG(18:1_18:3_20:4)+NH4 1.7764 0.0104 1.4062 0.5014 0.2374 1.5656 2.0587 1.3929 0.6292 0.4217
TG(18:1_18:3_20:5)+H 1.3184 0.0329 0.9535 0.5215 1.0430 1.5511 1.0766 1.1751 0.6536 1.6742
TG(18:1_18:3_20:5)+Na 2.0488 0.1238 0.7864 0.2304 1.2624 1.4694 1.0727 1.1762 0.2052 1.6246
TG(18:1_18:3_20:5)+NH4 1.6322 0.0380 1.0987 0.5715 0.6052 1.6217 1.4066 1.4087 0.6179 0.9996
TG(18:1_18:3_21:0)+H 2.2654 0.1154 0.6510 0.5824 0.3307 0.8530 1.8319 0.8950 0.8880 1.5872
TG(18:1_18:3_21:1)+NH4 1.6608 0.0561 0.9229 0.7908 0.7285 0.9776 1.4947 0.8455 0.5794 1.9439
TG(18:1_18:3_22:0)+H 1.4655 0.0557 1.0158 0.6928 0.4671 1.4155 1.9068 1.2157 0.9159 0.8493
TG(18:1_18:3_22:0)+Na 1.7609 0.0917 1.0175 0.3606 0.7275 1.3813 1.5553 1.2442 0.4587 1.4024
TG(18:1_18:3_22:0)+NH4 1.4238 0.0645 1.0990 0.6585 0.5695 1.3126 1.6730 1.1880 0.8187 1.1924
TG(18:1_18:3_22:5)+H 2.1694 0.0292 0.7412 0.5275 0.2563 1.1060 1.6696 0.7986 0.7774 1.9248
TG(18:1_18:3_22:5)+NH4 0.0500 0.1804 0.4561 0.4049 1.1915 0.9276 1.4708 0.2247 0.7123 4.3817
TG(18:1_18:3_22:5)+NH4_1 2.4227 0.0624 1.0030 0.9047 0.1194 1.5917 2.1301 0.3932 0.9819 0.3909
TG(18:1_18:3_23:1)+NH4 2.1099 0.0343 0.8124 0.8301 0.3707 1.0549 1.9304 0.9741 0.6251 1.2580
TG(18:1_18:3_24:1)+NH4 1.8537 0.0822 1.1777 0.6962 0.6049 1.3171 2.0279 1.0871 0.8153 0.3380
TG(18:1_18:3_24:1)+NH4_1 1.7929 0.0061 1.0800 0.6228 0.0772 1.6147 1.5832 1.6461 0.8231 0.7539
TG(18:1_20:4_20:5)+H 2.0631 0.1052 0.9694 0.2270 1.1517 1.5494 0.7151 1.4334 0.1781 1.6074
TG(18:1_20:4_21:0)+H 2.0124 0.0941 0.8637 0.7393 0.4655 0.4180 2.0556 0.9674 0.9760 1.4078
TG(18:1_20:4_22:1)+H 1.5790 0.0779 1.0493 0.5959 0.5857 1.2581 1.8184 1.1868 0.7691 1.0798
TG(18:1_20:4_24:1)+NH4 1.2627 0.0511 1.5166 1.3079 0.4418 0.2477 1.9166 1.1409 0.5809 1.5340
TG(18:1_20:5_21:0)+H 2.0142 0.0568 0.8111 0.5810 0.5300 0.9131 1.7636 0.9937 0.7699 1.5666
TG(18:1_20:5_22:6)+H 1.7459 0.0684 0.6275 0.8072 0.8401 0.8224 1.6979 0.7136 0.8426 1.8345
TG(18:1_20:5_22:6)+NH4 2.1062 0.0714 0.4964 0.7723 0.9715 0.8343 1.4907 0.5110 0.6890 2.0572
TG(18:1_21:0_22:5)+NH4 1.4512 0.0224 0.4896 1.3490 0.4614 0.5283 2.3564 0.3371 1.4899 1.5146
TG(18:1_22:0_22:5)+NH4 1.8342 0.1444 0.3343 0.8068 1.3386 1.2047 2.2069 0.7019 0.2887 1.1396
TG(18:1_22:1_22:6)+NH4 1.4513 0.1285 0.6470 0.7064 1.1160 1.0388 1.8847 0.5402 0.8043 1.6828
TG(18:1_22:6_22:6)+NH4 1.4504 0.1778 0.3204 0.5668 1.7198 0.5457 1.3800 0.2816 0.5474 3.0100
TG(18:1_22:6_24:1)+NH4 1.2247 0.0895 0.6462 1.2383 0.8225 0.9309 2.1918 0.5378 1.0349 1.2834
TG(18:2_14:3_17:1)+NH4 1.3445 0.0172 0.8943 0.6375 0.4321 1.3929 1.3536 1.4170 0.7100 1.8008
TG(18:2_18:2_18:2)+Na 1.2294 0.0304 0.8796 0.4822 1.6785 1.4322 1.0328 1.0907 0.6002 1.5440
TG(18:2_18:2_18:2)+NH4 1.7849 0.0438 1.0480 0.5404 0.7901 1.0931 1.3264 1.3673 0.5813 1.4247
TG(18:2_18:2_21:0)+NH4 2.1447 0.0415 0.8177 0.6273 0.4039 0.9740 1.8230 1.0366 0.8713 1.2600
TG(18:2_18:2_22:6)+H 1.5486 0.1111 0.6210 0.6927 1.1664 1.0032 1.6123 0.6808 0.7285 1.8353
TG(18:2_18:2_22:6)+Na 1.7253 0.4108 0.2908 0.1944 2.0231 0.8092 1.1123 0.5194 0.1822 2.7325
TG(18:2_18:2_22:6)+NH4 1.3238 0.1009 0.6729 0.7862 1.0312 1.2653 1.2250 0.7679 0.7606 2.0661
TG(18:2_18:2_23:0)+NH4 1.1965 0.0471 1.0167 0.8483 0.3678 1.0510 2.5826 1.0461 1.0903 0.7535
TG(18:2_21:0_22:6)+NH4 1.8896 0.0813 0.3491 0.5682 1.0889 0.5067 1.6013 0.3478 0.5118 3.0553
TG(18:2_22:6_22:6)+H 1.3757 0.1352 0.3899 0.7581 1.2376 0.7048 1.4266 0.3294 0.8574 2.7853
TG(18:2_22:6_22:6)+Na 1.4840 0.3639 0.1962 0.2450 2.2284 0.3591 1.0274 0.2687 0.1886 3.6387
TG(18:2_22:6_22:6)+NH4 1.5757 0.1365 0.3925 0.7949 1.2085 0.5853 1.7304 0.3095 0.7344 2.5324
TG(18:2e_18:3_18:3)+H 1.4794 0.0732 0.9857 0.3908 1.3067 1.2858 1.4463 1.1968 0.5967 1.2387
TG(18:3_12:1_18:3)+NH4 0.9982 0.0191 1.0811 1.1231 0.5038 1.2176 1.8368 1.3855 1.6689 0.1658
TG(18:3_12:2_22:6)+NH4 0.6384 0.0371 2.0004 0.6415 0.4043 2.2254 0.9607 2.0187 0.8512 0.2222
TG(18:3_13:0_18:3)+NH4 1.1029 0.0111 1.4445 0.6188 0.4749 2.0679 1.4123 1.5624 0.8379 0.4672
TG(18:3_13:0_22:6)+NH4 1.1497 0.0109 1.5907 0.4526 0.4009 2.1597 1.4097 1.9270 0.6828 0.2160
TG(18:3_14:1_18:2)+Na 0.3103 0.0105 0.8863 1.0129 0.1263 2.1598 1.7254 2.2343 1.4150 0.1193
TG(18:3_14:1_18:3)+H 0.9681 0.0187 1.4419 0.6114 0.4229 1.9922 1.3655 1.6712 0.8865 0.6216
TG(18:3_14:1_18:3)+H_1 0.7233 0.0244 1.8316 0.4660 0.5231 2.4279 1.0478 2.0871 0.6423 0.2266
TG(18:3_14:1_18:3)+Na 0.7022 0.0129 1.9264 0.6705 0.3194 1.6428 1.1758 2.3016 0.9257 0.3227
TG(18:3_14:1_18:3)+Na_1 1.0617 0.2642 1.1185 0.2790 0.7926 1.8123 1.0716 1.8395 0.4198 1.3407
TG(18:3_14:1_18:3)+Na_2 0.8347 0.0890 1.2162 0.1868 2.7504 1.9078 0.6081 1.5898 0.1797 0.6375
TG(18:3_14:1_18:3)+NH4 0.9874 0.0211 1.5725 0.6217 0.4596 1.9504 1.2861 1.7371 0.9204 0.4437
TG(18:3_14:1_18:3)+NH4_1 0.6253 0.0267 1.8661 0.4380 0.5529 2.3326 0.8634 1.9357 0.5584 0.8008
TG(18:3_14:2_18:3)+H 0.7476 0.0900 1.9175 0.6741 0.3856 2.1037 1.2197 1.6289 0.9207 0.3121
TG(18:3_14:2_18:3)+NH4 0.8959 0.0001 2.2633 0.0459 0.4844 2.5976 0.7501 2.5290 0.0115 0.4222
TG(18:3_14:2_18:3)+NH4_1 0.5884 0.0266 1.4316 1.0148 0.3062 1.7475 1.7314 1.4894 1.3932 0.2709
TG(18:3_14:2_20:5)+Na 1.1842 0.0500 1.3833 0.3701 0.7248 2.0775 1.1995 1.9856 0.4022 0.6227
TG(18:3_14:2_20:5)+NH4 0.6487 0.0288 1.6948 0.7444 0.3373 2.1409 1.1596 1.8814 1.0704 0.2936
TG(18:3_14:3_18:3)+NH4 0.7127 0.0188 2.3528 0.8218 0.4146 2.7128 0.1098 2.5419 0.0145 0.3004
TG(18:3_17:1_18:3)+H 1.3800 0.0311 1.1996 0.4668 0.6021 1.8783 1.4567 1.6032 0.6404 0.7419
TG(18:3_17:1_18:3)+Na 1.8047 0.1618 0.7994 0.1517 1.6419 1.4217 0.9861 1.3451 0.1652 1.5223
TG(18:3_17:1_18:3)+NH4 1.3507 0.0365 1.1828 0.4864 0.6025 1.7606 1.4198 1.5655 0.6371 0.9581
TG(18:3_17:1_20:4)+NH4 1.2856 0.0663 1.3617 0.3865 0.9557 1.7254 0.9811 0.7519 0.3967 2.0891
TG(18:3_17:1_20:5)+NH4 1.6459 0.0337 1.0549 0.6894 0.4906 1.4856 1.4856 1.2398 0.7310 1.1436
TG(18:3_17:1_22:6)+NH4 1.9148 0.0316 0.7437 0.7519 0.5691 1.1628 1.6806 0.7704 0.8012 1.5737
TG(18:3_18:2_18:2)+Na 0.8383 0.0248 0.6450 1.0347 0.3451 2.2355 1.8654 0.7779 1.6540 0.5793
TG(18:3_18:2_18:3)+H 1.0049 0.0209 0.6523 0.7816 0.2574 0.9696 2.3154 2.3859 1.0284 0.5835
TG(18:3_18:2_18:3)+H_1 0.9503 0.0344 1.8986 0.3787 0.5954 2.8376 0.9503 1.3414 0.4974 0.5159
TG(18:3_18:2_18:3)+Na 1.3208 0.0895 0.4507 0.1170 0.7402 2.6811 2.0561 0.9376 0.3767 1.2304
TG(18:3_18:2_18:3)+Na_1 0.9566 0.1306 1.8118 0.4003 1.1690 0.9097 0.5676 2.9883 0.1207 0.9454
TG(18:3_18:2_18:3)+NH4 1.0452 0.0217 0.6829 0.8353 0.2796 1.0713 2.9527 1.1497 1.3501 0.6115
TG(18:3_18:2_18:3)+NH4_1 0.8895 0.0336 2.0251 0.3397 0.5357 2.9178 1.0136 1.1867 0.5248 0.5335
TG(18:3_18:2_20:3)+H 1.5892 0.1761 0.5297 0.5202 1.7133 0.7254 1.1406 0.2114 0.4686 2.9255
TG(18:3_18:2_20:4)+H 1.5890 0.0574 1.0764 0.4905 0.5433 1.5172 1.5890 1.5275 0.8150 0.7945
TG(18:3_18:2_20:4)+Na 2.0819 0.1436 0.7050 0.1173 1.1257 1.2994 1.1013 1.2836 0.2613 1.8809
TG(18:3_18:2_20:4)+NH4 1.6195 0.0330 0.9491 0.4331 0.4761 1.6722 1.6120 1.4839 0.7118 1.0094
TG(18:3_18:2_20:5)+H 1.4757 0.3790 0.4926 0.1890 1.7518 1.5819 0.9481 1.2846 0.1879 1.7093
TG(18:3_18:2_22:5)+H 1.8051 0.0216 0.4867 0.7381 0.2869 1.7811 2.1929 0.9012 0.9092 0.8772
TG(18:3_18:2_22:6)+H 1.8800 0.0662 0.5527 0.7659 0.8617 0.7599 1.8452 0.4465 0.8025 2.0193
TG(18:3_18:2_22:6)+Na 2.1089 0.1719 0.2979 0.3398 1.4393 0.9935 1.2294 0.6637 0.2769 2.4788
TG(18:3_18:2_22:6)+NH4 1.4905 0.0615 0.7334 0.4276 0.9641 1.1356 1.6975 0.9937 0.7689 1.7271
TG(18:3_18:3_18:3)+H 1.3867 0.0320 1.1600 0.5822 0.3991 1.7333 1.5556 1.5556 0.7956 0.8000
TG(18:3_18:3_18:3)+Na 1.9551 0.1333 0.9445 0.2821 0.8647 1.5465 1.1769 1.4590 0.3054 1.3326
TG(18:3_18:3_18:3)+NH4 2.5136 0.0431 0.7989 0.4735 0.3955 1.0483 1.1418 1.1711 0.3878 2.0265
TG(18:3_18:3_18:3)+NH4_1 0.2617 0.0154 1.8214 0.3117 0.0850 4.4051 2.2126 0.6361 0.0317 0.2192
TG(18:3_18:3_18:3)+NH4_2 1.9839 0.0430 0.8555 0.4506 0.4443 1.8223 1.6338 0.9156 0.7828 1.0682
TG(18:3_18:3_20:4)+H 1.0752 0.0206 0.9756 0.4085 0.2798 3.5495 1.1749 1.3036 0.7473 0.4650
TG(18:3_18:3_20:4)+H_1 1.1544 0.0164 0.8118 1.7055 0.1854 1.2661 1.1991 1.1544 1.8694 0.6375
TG(18:3_18:3_20:4)+Na 1.9815 0.1146 0.9519 0.2564 0.8111 1.7678 1.0296 1.6221 0.3089 1.1559
TG(18:3_18:3_20:4)+Na_1 1.9484 0.0196 0.8118 0.3495 0.8503 1.4271 1.6023 1.2647 0.3205 1.4057
TG(18:3_18:3_20:4)+NH4 1.3763 0.0281 1.2604 0.5287 0.3522 1.9213 1.3013 1.7169 0.9607 0.5539
TG(18:3_18:3_20:4)+NH4_1 1.5181 0.0232 1.0821 0.8374 0.1095 1.6968 1.6467 1.4459 0.9033 0.7371
TG(18:3_18:3_20:5)+H 1.6853 0.0134 1.1700 0.8227 0.1395 1.7109 1.4490 1.7166 0.9110 0.3815
TG(18:3_18:3_20:5)+H_1 2.8953 0.1776 0.1270 0.5909 1.5499 0.6393 0.5425 0.3939 0.6942 2.3894
TG(18:3_18:3_20:5)+Na 1.9015 0.0621 1.0115 0.4040 0.5977 1.6355 1.2349 1.5633 0.4040 1.1856
TG(18:3_18:3_20:5)+NH4 1.2708 0.0257 1.2423 0.8483 0.3031 1.6807 1.4551 1.5504 1.0421 0.5814
TG(18:3_18:3_21:0)+NH4 2.9833 0.0031 0.3183 0.4568 0.7059 0.4821 1.1294 0.2903 0.3942 3.2364
TG(18:3_18:3_21:0)+NH4_1 0.4090 0.0127 1.6098 0.8705 0.1995 2.4453 0.6343 1.8723 1.3561 0.5906
TG(18:3_18:3_22:5)+H 1.5112 0.4870 0.1780 0.0898 2.5859 0.3375 0.4517 0.1259 0.0770 4.1559
TG(18:3_18:3_22:5)+NH4 3.0563 0.0112 0.3639 2.1836 0.1729 0.6099 0.7784 0.5122 2.0353 0.2763
TG(18:3_18:3_22:6)+H 1.3696 0.0249 0.8773 0.9025 0.3818 1.4390 2.0007 0.8268 0.9909 1.1865
TG(18:3_18:3_22:6)+Na 2.1420 0.0871 0.6042 0.4284 1.0085 1.0888 1.4994 0.7434 0.3900 2.0081
TG(18:3_18:3_22:6)+NH4 1.6693 0.0302 0.9699 0.2455 0.4540 1.3394 2.0652 1.0557 1.0557 1.1151
TG(18:3_18:3_23:0)+NH4 2.0464 0.0099 0.6517 0.6315 0.0654 0.9658 1.4251 0.7767 0.5977 2.8298
TG(18:3_20:4_22:6)+NH4 0.9935 0.0163 0.9303 1.2013 0.1838 1.5897 2.1632 1.0161 1.3368 0.5690
TG(18:3_20:5_20:5)+H 1.8637 0.1355 0.7772 0.3561 0.8098 1.3266 1.8393 1.2045 0.3487 1.3388
TG(18:3_20:5_20:5)+Na 1.9716 0.0441 0.7710 0.5705 0.6636 1.4131 1.4632 1.1290 0.5013 1.4727
TG(18:3_20:5_20:5)+NH4 1.4161 0.0191 0.9252 1.1839 0.3172 1.4936 1.6843 1.1103 1.1046 0.7458
TG(18:3_20:5_22:6)+NH4 1.5290 0.0220 0.5921 1.3036 0.5391 1.1092 1.9134 0.7313 1.2461 1.0142
TG(18:3_22:1_22:6)+NH4 1.7671 0.1568 0.5198 0.4882 0.9007 0.6580 1.5195 0.4895 0.5232 2.9772
TG(18:3_22:5_22:6)+NH4 0.6423 0.0159 0.4708 0.7158 0.2415 2.6601 1.5138 0.7000 2.3801 0.6598
TG(18:3_22:6_22:6)+NH4 1.5703 0.0447 0.5454 1.0884 0.8228 0.7734 2.0827 0.5101 1.0179 1.5444
TG(18:3e_16:0_18:3)+H 1.4560 0.1012 0.9549 0.4500 0.9644 1.5316 1.2858 1.5033 0.5049 1.2480
TG(18:3e_18:2_18:2)+H 1.3073 0.1955 1.0281 0.4723 1.1471 1.6017 1.4133 1.2130 0.4676 1.1542
TG(18:3e_18:3_18:3)+H 1.5692 0.0837 0.9056 0.4107 0.8106 1.5692 1.3988 1.4974 0.5891 1.1657
TG(18:3e_18:3_18:4)+H 1.5360 0.0442 0.9152 0.5392 0.5664 1.4989 1.7191 1.5088 0.8781 0.7940
TG(18:4_12:0_18:3)+NH4 0.7095 0.0252 1.6581 0.5758 0.2613 1.9395 1.4672 1.5777 0.9697 0.8160
TG(18:4_13:0_18:3)+NH4 0.5985 0.0106 2.0461 0.5248 0.3508 2.3261 1.0555 2.0726 0.7518 0.2633
TG(18:4_13:0_18:3)+NH4_1 0.5611 0.0092 1.8688 1.1486 0.2539 2.2752 1.1155 1.4999 1.0117 0.2562
TG(18:4_14:0_16:0)+NH4 1.6162 0.0844 0.6236 0.5219 0.8988 1.4349 1.8370 1.0801 0.5629 1.3403
TG(18:4_14:0_18:3)+Na 0.5386 0.0075 1.9047 0.6676 0.2946 2.3171 0.9790 2.2049 0.9790 0.1070
TG(18:4_14:0_18:4)+NH4 0.8046 0.0250 1.5547 0.7741 0.3134 2.0757 1.1826 1.8524 1.1081 0.3093
TG(18:4_14:3_18:3)+NH4 0.5018 0.0376 2.3072 0.5816 0.4557 2.2495 0.8287 2.1919 0.6479 0.1980
TG(18:4_15:0_16:1)+H 5.2900 0.0141 0.3738 0.0256 0.5434 0.3748 1.8993 0.5139 0.7708 0.1942
TG(18:4_15:0_16:1)+NH4 1.3127 0.0388 1.2772 0.5085 0.6611 1.8212 1.3955 1.5138 0.6587 0.8125
TG(18:4_15:0_18:3)+H 1.1105 0.0176 1.5062 0.5613 0.5129 2.0716 1.2478 1.7324 0.7350 0.5048
TG(18:4_15:0_18:3)+Na 1.5260 0.0903 1.1086 0.2450 1.3686 1.7382 0.9717 1.5055 0.2553 1.1907
TG(18:4_15:0_18:3)+NH4 1.1362 0.0206 1.6807 0.5397 0.3972 1.9742 1.2356 1.7091 0.7196 0.5871
TG(18:4_15:0_18:4)+NH4 0.8097 0.0207 1.6093 0.6861 0.3998 2.0667 1.1993 1.8295 0.9554 0.4235
TG(18:4_15:0_22:6)+NH4 0.1981 0.0176 0.1039 1.1524 0.0170 0.1828 3.4800 0.4485 2.6398 1.7599
TG(18:4_16:0_16:0)+H 1.6866 0.0152 0.9184 0.5952 0.2066 1.4306 1.6866 1.4041 0.8469 1.2098
TG(18:4_16:0_16:0)+NH4 1.7441 0.0473 0.6571 0.5980 0.3197 1.6818 1.7960 1.3807 0.8648 0.9104
TG(18:4_16:0_16:1)+H 1.4780 0.0274 1.0242 0.4774 0.9612 1.5032 1.3646 1.2543 0.6870 1.2227
TG(18:4_16:0_16:1)+NH4 1.4241 0.0473 1.0606 0.5195 0.6239 1.6818 1.4106 1.4920 0.7311 1.0091
TG(18:4_16:0_18:1)+H 0.7153 0.1153 1.5636 0.3454 0.9925 2.4342 1.9684 0.4314 0.5190 0.9149
TG(18:4_16:0_18:1)+NH4 1.5102 0.0590 0.8021 0.5007 0.5444 1.5896 1.5556 1.6690 0.7000 1.0694
TG(18:4_16:0_18:3)+H 1.1764 0.0313 1.3679 0.4817 0.6404 2.0012 1.3222 1.7010 0.6018 0.6761
TG(18:4_16:0_18:3)+Na 1.4795 0.1564 0.8977 0.1678 1.7632 1.4912 1.0146 1.3333 0.1523 1.5439
TG(18:4_16:0_18:3)+NH4 1.2395 0.0353 1.3540 0.4932 0.6383 1.9181 1.3733 1.6602 0.6045 0.6834
TG(18:4_16:0_22:6)+Na 2.2149 0.1725 0.4925 0.2395 1.3724 0.8625 0.9300 0.5750 0.0660 3.0748
TG(18:4_16:0_22:6)+NH4 1.7841 0.0495 0.9038 0.7322 0.7439 1.1260 1.7168 0.7675 0.6446 1.5316
TG(18:4_16:1_16:1)+H 0.6521 0.0472 1.5418 0.6475 0.2398 2.1328 1.5735 1.6754 0.3849 1.1049
TG(18:4_16:1_16:1)+NH4 0.5362 0.0204 1.6106 0.6584 0.4122 2.1945 1.6678 1.9274 0.8778 0.0947
TG(18:4_16:1_18:3)+H 0.8636 0.0173 1.5695 0.6306 0.5072 2.0836 1.3365 1.7854 0.7916 0.4147
TG(18:4_16:1_18:3)+H_1 0.9784 0.0299 1.4846 0.5823 0.4223 2.0119 1.3509 1.8466 0.8761 0.4171
TG(18:4_16:1_18:3)+Na 1.6672 0.0730 0.7886 0.1733 0.8813 2.2442 1.2729 2.0351 0.1842 0.6801
TG(18:4_16:1_18:3)+Na_1 0.4153 0.1984 2.5081 0.0271 2.7137 0.9611 0.3495 0.7093 0.0719 2.0456
TG(18:4_16:1_18:3)+NH4 0.9854 0.0216 1.5499 0.5417 0.4503 2.0133 1.3705 1.7947 0.8158 0.4568
TG(18:4_16:1_18:3)+NH4_1 0.8111 0.0266 1.7172 0.6001 0.4872 2.1064 1.2062 1.8598 0.7873 0.3981
TG(18:4_17:1_18:3)+H 1.2298 0.0169 1.3990 0.5489 0.5076 1.8200 1.3495 1.6549 0.7552 0.7181
TG(18:4_17:1_18:3)+Na 1.5674 0.0870 1.0574 0.2482 1.2599 1.7024 1.0499 1.4849 0.2377 1.3049
TG(18:4_17:1_18:3)+NH4 1.1806 0.0268 1.3807 0.6108 0.4928 1.9043 1.3140 1.7195 0.7391 0.6313
TG(18:4_17:1_18:4)+NH4 1.0131 0.0535 0.8684 1.0999 0.4689 2.2650 0.8611 0.7215 1.2881 1.3605
TG(18:4_18:1_18:3)+H 1.8533 0.3224 0.7071 0.0436 2.1492 1.2708 0.8426 0.4127 0.1556 2.2427
TG(18:4_18:1_18:3)+NH4 1.3739 0.1264 0.5062 0.4408 1.0170 1.8637 1.2082 1.6561 0.5621 1.2456
TG(18:4_18:1_18:3)+NH4_1 0.0544 0.0212 2.7388 0.9983 0.1348 0.2415 0.1547 4.1082 1.3955 0.1526
TG(18:4_18:1_18:3)+NH4_2 1.5704 0.0209 1.3403 0.5578 0.3060 1.8412 1.5975 1.6246 0.4644 0.6769
TG(18:4_18:3_18:3)+H 1.0044 0.0242 1.3295 0.7516 0.3431 2.0143 1.3364 1.7504 0.9766 0.4695
TG(18:4_18:3_18:3)+Na 1.5988 0.0795 1.0602 0.3415 0.8580 1.7840 1.1485 1.6837 0.3857 1.0602
TG(18:4_18:3_18:3)+NH4 1.4143 0.0113 1.4066 0.8532 0.5150 1.3567 0.9647 1.7064 0.9608 0.8109
TG(18:4_18:3_18:3)+NH4_1 0.9520 0.0048 1.6686 1.2194 0.3220 2.4067 1.0643 0.3567 1.4547 0.5509
TG(18:4_18:3_18:3)+NH4_2 1.0360 0.0238 1.2917 0.7213 0.3311 1.8687 1.5245 1.7703 0.9311 0.5016
TG(18:4_18:3_18:4)+H 0.7384 0.0243 1.8333 0.6924 0.2967 2.2597 0.8783 2.1147 0.9209 0.2413
TG(18:4_18:3_18:4)+H_1 1.6427 0.0720 0.7770 0.3259 0.8683 2.2111 1.2463 2.0051 0.1815 0.6701
TG(18:4_18:3_18:4)+Na 1.2356 0.0540 1.5772 0.3695 0.6605 2.1352 0.9224 2.0042 0.4492 0.5922
TG(18:4_18:3_18:4)+NH4 0.8092 0.0266 1.6948 0.6833 0.3573 2.0307 1.0917 2.0613 0.9390 0.3061
TG(18:4_18:3_20:5)+H 1.9644 0.0987 0.9470 0.2824 0.8688 1.5539 1.1826 1.4562 0.3069 1.3389
TG(18:4_18:3_20:5)+H_1 1.1097 0.0178 1.5004 1.1276 0.1267 1.9447 0.9991 1.8376 0.9581 0.3782
TG(18:4_18:3_20:5)+Na 1.8171 0.0364 1.1434 0.4968 0.5251 1.8289 1.1481 1.7817 0.4012 0.8212
TG(18:4_18:3_20:5)+NH4 1.0541 0.0217 1.3655 0.9826 0.2399 1.8249 1.3527 1.6973 1.0094 0.4518
TG(18:4_18:4_18:4)+H 1.3492 0.0226 1.3675 0.4075 0.2909 2.1109 1.2482 2.0467 0.5094 0.6470
TG(18:4_18:4_18:4)+H_1 1.2395 0.0556 1.3302 0.3779 0.7074 2.0316 1.1972 1.9771 0.4426 0.6409
TG(18:4_18:4_18:4)+NH4 0.9644 0.0205 1.4911 0.9705 0.2779 2.0117 1.1118 1.8120 1.1855 0.1546
TG(18:4_18:4_20:5)+NH4 0.9104 0.0067 1.2194 1.2872 0.2247 1.7680 1.2888 1.6689 1.2971 0.3288
TG(18:4_18:4_22:6)+NH4 1.0868 0.0045 1.0237 1.4748 0.2398 1.4669 1.5221 1.2855 1.2145 0.6814
TG(19:0_18:1_18:3)+NH4 1.6455 0.0496 0.9831 0.5485 0.6209 1.4437 1.5523 1.2470 0.6261 1.2833
TG(19:0_18:1_20:4)+H 2.0426 0.0749 0.8955 0.5771 0.5970 1.1588 1.5334 1.0535 0.1592 1.9080
TG(19:1_18:1_18:1)+Na 1.8508 0.0875 0.9342 0.3435 0.7214 1.2358 1.5906 1.0525 0.4157 1.7680
TG(19:1_18:1_18:1)+NH4 1.7695 0.0398 0.9405 0.6820 0.3949 1.2480 1.7517 1.1188 0.8112 1.2436
TG(19:1_18:1_18:3)+NH4 1.6659 0.0522 0.9613 0.4524 0.6916 1.3310 1.2919 1.1614 0.5742 1.8182
TG(19:1_18:1_22:6)+NH4 1.7538 0.0981 0.5426 0.4645 1.2459 0.8552 1.1981 0.5426 0.5426 2.7566
TG(19:1_18:2_22:6)+NH4 1.7571 0.0758 0.5874 0.4860 1.2802 0.7581 1.5011 0.5271 0.5322 2.4951
TG(19:1_18:3_18:3)+NH4 0.4998 0.0170 1.5127 0.3280 1.4798 2.1622 0.9948 1.8498 0.4415 0.7144
TG(19:1_18:3_18:3)+NH4_1 3.7030 0.1133 0.0982 0.5990 0.0725 0.1437 1.3637 0.1070 0.6105 3.1890
TG(20:0_18:1_18:3)+H 1.6019 0.0824 0.9651 0.5255 0.7641 1.3204 1.5349 1.2131 0.6320 1.3606
TG(20:0_18:1_18:3)+NH4 1.4067 0.0787 0.8707 0.5329 0.8304 1.2363 1.6670 1.2859 0.5453 1.5461
TG(20:0_22:6_22:6)+NH4 1.9634 0.1474 0.4153 0.4912 1.2789 0.6740 1.3992 0.3995 0.5529 2.6781
TG(20:1_18:1_18:1)+Na 0.2435 0.2047 1.0235 0.2110 1.6210 1.3922 0.0871 1.1633 0.2015 3.8523
TG(20:1_18:1_18:1)+NH4 2.3474 0.0803 1.5372 0.3862 0.7648 0.5717 0.4127 1.7568 0.5073 1.6356
TG(20:1_18:1_18:1)+NH4_1 0.2361 0.0371 1.3978 1.6152 0.0229 1.7291 0.1470 1.5738 2.1433 1.0975
TG(20:1_18:1_18:3)+H 1.9664 0.0448 1.0445 0.4540 0.5459 1.4093 1.2478 1.1364 0.1512 1.9998
TG(20:1_18:1_18:3)+Na 1.4850 0.2308 1.0089 0.0474 1.6061 1.7272 1.2268 0.4802 0.0246 2.1630
TG(20:1_18:1_18:3)+NH4 0.7984 0.0878 1.1396 0.6560 0.9342 1.6664 2.3687 0.7653 0.7355 0.8481
TG(20:1_18:1_22:6)+NH4 1.8758 0.1015 1.3825 0.5371 0.9662 0.0337 1.4621 0.6527 0.6193 2.3692
TG(20:1_18:1_22:6)+NH4_1 1.4608 0.1446 0.1325 0.5558 1.1712 1.7994 1.3586 0.4600 0.5749 2.3424
TG(20:1_18:1_24:1)+NH4 1.3809 0.1632 0.0778 2.2261 0.6737 0.2653 3.2890 0.1188 0.4076 1.3976
TG(20:1_18:2_22:6)+NH4 1.6567 0.1772 0.3917 0.5323 1.5093 0.7189 1.3572 0.3664 0.4793 2.8111
TG(20:1_18:3_22:5)+NH4 2.1243 0.0991 0.7081 0.5690 0.2708 1.0137 1.6149 0.6112 0.5640 2.4249
TG(20:1_18:3_22:6)+NH4 2.9400 0.0612 0.3622 0.7978 0.5653 0.6094 2.0981 0.1312 0.8446 1.5903
TG(20:1_20:5_22:6)+NH4 2.5323 0.0356 0.2899 1.0595 0.5233 1.9909 0.8674 0.7277 0.9838 0.9896
TG(20:1_22:6_23:0)+NH4 2.0352 0.0322 0.4032 1.3269 0.3733 0.8597 2.0992 0.1227 1.5466 1.2010
TG(20:1_22:6_24:1)+NH4 1.4148 0.0553 0.5577 1.1917 0.4813 0.8006 2.3376 0.5439 1.2330 1.3842
TG(20:2_22:6_22:6)+NH4 2.3518 0.0850 0.2281 0.3375 0.8631 0.9336 2.1048 0.4210 0.2881 2.3870
TG(20:3_18:2_18:2)+H 2.6705 0.0532 0.6713 0.2597 0.6639 1.0437 2.3765 0.9212 0.3258 1.0143
TG(20:3_18:2_18:2)+NH4 1.6330 0.1228 0.9494 0.3789 0.9747 1.4473 1.2279 1.2363 0.5317 1.4980
TG(20:3_22:6_22:6)+NH4 1.9262 0.0363 0.0452 0.6619 1.4220 0.4835 1.7323 0.0884 0.6179 2.9862
TG(20:4_20:4_20:4)+NH4 1.6763 0.0118 0.3893 0.6980 0.8101 0.8967 2.0278 0.5655 0.8814 2.0431
TG(20:4_22:6_22:6)+NH4 1.7603 0.0616 0.4914 1.0806 0.9217 0.7970 1.7236 0.5574 1.0415 1.5647
TG(20:5_18:2_18:2)+Na 1.3696 0.0249 0.8773 0.9025 0.3818 1.4390 2.0007 0.8268 0.9909 1.1865
TG(20:5_18:2_22:6)+H 2.1708 0.0987 0.6082 0.9015 0.8634 0.6446 1.1384 0.5601 0.8932 2.1211
TG(20:5_18:2_22:6)+Na 1.6243 0.2350 0.3785 0.4069 2.1290 0.7034 1.1402 0.3706 0.3154 2.6967
TG(20:5_18:2_22:6)+NH4 1.6608 0.0836 0.6043 0.8968 1.0383 0.7286 1.6822 0.4961 0.8807 1.9286
TG(20:5_20:5_20:5)+NH4 1.2770 0.0254 0.7344 1.7080 0.5177 1.0011 1.8262 0.7922 1.2087 0.9092
TG(20:5_20:5_22:6)+NH4 1.4603 0.0486 0.5993 1.4328 0.8266 0.8817 1.7289 0.6041 1.1503 1.2674
TG(20:5_22:5_22:6)+NH4 1.6660 0.1028 0.3966 0.7384 1.6983 0.6041 1.3866 0.3676 0.5998 2.4399
TG(20:5_22:6_22:6)+NH4 1.6215 0.0850 0.5140 1.0654 1.2523 0.7103 1.6168 0.4477 0.9439 1.7430
TG(22:0_18:3_18:3)+H 1.8083 0.0719 0.8562 0.6167 0.5275 1.2933 1.6227 1.0059 0.7006 1.4969
TG(22:0_18:3_18:3)+NH4 1.9334 0.1291 0.4457 0.5689 0.2248 1.3239 1.6778 1.0224 0.6619 2.0121
TG(22:0_21:0_22:6)+NH4 0.8680 0.0058 0.2859 2.2057 0.3182 0.2468 2.9358 0.1931 1.6542 1.2866
TG(22:0_22:0_22:6)+NH4 1.0024 0.0110 0.3698 1.9529 0.4433 0.4836 2.4714 0.2754 2.0739 0.9164
TG(22:0_22:1_22:6)+NH4 1.0941 0.0355 0.5346 1.4287 0.3423 0.6557 3.1536 0.4634 1.4345 0.8576
TG(22:0_22:6_24:1)+NH4 1.1443 0.0113 0.6817 2.0694 0.3443 1.0104 2.5929 0.5819 0.9069 0.6570
TG(22:1_18:2_18:2)+NH4 1.7343 0.0119 0.2742 1.0234 0.1680 1.9922 2.1015 0.3898 0.9531 1.3515
TG(22:1_18:2_22:6)+NH4 1.5800 0.1660 0.5566 0.6367 1.3725 0.8678 1.4810 0.5094 0.6556 2.1743
TG(22:5_18:2_22:6)+NH4 2.3064 0.0596 0.3331 0.6208 1.3425 0.5299 1.2214 0.3548 0.4810 2.7506
TG(22:5_22:6_22:6)+NH4 1.3610 0.2497 0.1745 0.5205 2.4242 0.2062 1.6950 0.0679 0.3229 2.9781
TG(22:5_22:6_22:6)+NH4_1 1.7163 0.0884 0.6067 1.0665 0.8571 1.0061 1.4724 0.6563 0.8636 1.6667
TG(22:6_21:0_21:0)+NH4 0.5615 0.0223 0.1706 2.2713 0.2594 0.2110 3.5165 0.1487 2.3636 0.4750
TG(22:6_22:6_22:6)+NH4 1.4550 0.1249 0.5686 0.8418 1.1317 0.7805 2.0404 0.5263 0.6745 1.8564
TG(24:0_18:2_20:4)+H 1.2158 0.0545 0.9701 0.7991 0.5193 1.0512 2.0643 1.0132 1.4944 0.8181
TG(24:0_18:3_20:4)+H 1.7089 0.0380 1.3767 0.6736 0.4946 1.2143 1.9193 1.2254 0.7179 0.6312
TG(24:1_18:2_18:3)+NH4 2.4554 0.0294 0.4507 0.1966 0.2758 2.5681 0.7680 0.7740 0.4033 2.0788
TG(24:1_18:3_18:3)+NH4 1.7286 0.0814 0.8173 0.5806 0.5843 1.2100 1.6553 0.9037 0.6501 1.7887
TG(24:1_22:1_22:6)+NH4 1.2448 0.0309 0.7524 1.6742 0.3536 1.0754 2.2650 0.7760 1.0754 0.7524
TG(25:0_16:0_16:0)+NH4 1.4231 1.5036 0.6702 0.6524 0.8467 0.7038 1.8119 0.6546 1.3181 0.4155
TG(25:0_16:0_18:1)+NH4 1.4569 0.3022 0.7399 1.1895 0.5862 0.6716 2.0033 0.6488 1.4797 0.9220
TG(25:0_18:1_18:1)+NH4 1.4190 0.2244 0.7025 1.3083 0.1021 0.7266 2.2040 0.7216 1.6102 0.9812
TG(25:1_18:1_18:1)+NH4 1.2946 0.0968 0.7499 1.2434 0.3922 0.7883 2.3008 0.8460 1.4484 0.8396
TG(25:1_18:1_18:2)+NH4 1.3718 0.0566 0.9572 1.2499 0.3932 0.9633 2.1583 1.0182 1.6522 0.1792
TG(25:1_18:1_18:3)+NH4 0.8416 0.0046 0.5296 0.7716 0.0509 0.4307 2.2677 3.5462 0.6940 0.8629
TG(26:0_16:0_16:0)+NH4 1.7351 0.0870 0.0326 0.6785 1.1356 2.1583 2.2852 0.2398 1.0791 0.5687
TG(26:0_16:0_16:1)+NH4 1.2395 0.1613 0.6862 1.1573 0.4443 0.7194 2.4664 0.7115 1.4577 0.9565
TG(26:0_18:1_18:3)+NH4 0.3434 0.0124 1.8197 1.4610 0.1419 1.4030 3.3545 1.1762 0.1661 0.1218
TG(26:0_18:3_18:3)+NH4 0.3199 0.0172 3.0057 2.5989 0.1048 0.4143 0.4060 2.2611 0.3199 0.5522
TG(26:1_16:0_20:4)+NH4 1.3161 0.0473 0.5640 1.5906 0.7491 0.7550 2.6381 0.5163 1.1012 0.7222
TG(26:1_16:0_22:6)+NH4 0.9971 0.1177 0.4723 1.1966 0.4913 0.5983 2.1013 0.3483 2.4174 1.2598
TG(26:1_18:1_18:2)+NH4 2.8110 0.1694 0.4574 0.5622 0.9341 0.6792 1.0563 0.6713 0.7997 1.8595
TG(26:1_18:1_18:3)+H 1.5135 0.1145 0.7401 1.0194 0.5507 0.8280 2.1677 0.8143 1.2869 0.9647
TG(26:1_18:1_18:3)+NH4 2.5540 0.0847 1.3128 0.2966 0.8200 0.3723 0.5780 1.9715 0.3387 1.6713
TG(26:1_18:3_18:3)+NH4 1.8927 0.0795 0.0350 0.7864 0.5376 1.8660 1.7860 1.0085 0.8930 1.1152
TG(26:1_18:3_24:2)+NH4 0.0752 0.0140 1.2128 1.5946 0.0193 1.8280 2.6058 1.5345 0.2249 0.8910
TG(27:0_18:1_18:3)+NH4 1.0105 0.1638 0.8305 1.5061 0.3775 0.9718 1.7907 1.0899 1.6668 0.5924
TG(27:1_18:1_18:1)+NH4 1.1970 0.1818 0.6680 1.4503 0.4573 0.7666 2.1430 0.7778 1.4862 0.8720
TG(28:0_18:1_18:3)+NH4 0.9689 0.1570 1.2158 1.3814 0.0565 1.4556 0.8933 1.7267 1.6982 0.4467
TG(28:0_18:3_18:3)+NH4 1.7200 0.0728 0.9698 0.5346 0.6279 1.4402 0.3927 1.7821 0.7398 1.7200
TG(28:1_16:0_18:1)+NH4 1.4415 0.1464 0.5881 1.2215 0.5737 0.8008 2.1204 0.6956 1.2502 1.1618
TG(28:1_18:1_18:1)+NH4 1.3028 0.0261 0.6718 1.4962 0.4066 0.9109 2.1781 0.8244 1.4097 0.7735
TG(28:1_18:1_18:2)+NH4 1.1616 0.0987 0.5199 0.8407 1.7505 0.5727 1.3687 0.3282 2.1323 1.2266
TG(28:1_18:1_18:3)+NH4 2.3607 0.1036 0.4769 0.2775 0.1217 2.7755 0.7529 1.7227 0.2648 1.1437
TG(30:0_18:3_18:3)+NH4 2.5178 0.0182 0.0276 0.3589 0.1161 0.1705 0.3704 0.1612 3.6858 2.5734
TG(30:1_17:0_18:3)+NH4 1.1560 0.0231 0.6772 1.6059 0.4819 0.9674 2.1573 0.9529 1.1802 0.7981
TG(30:1_18:1_18:3)+NH4 0.3145 0.0337 2.1039 2.5827 0.0218 3.2139 0.6783 0.2808 0.6058 0.1647
TG(30:1_18:1_18:3)+NH4_1 2.7881 0.0610 0.2290 0.4242 0.0677 0.2566 0.6754 3.6159 0.2636 1.6185
TG(4:0_16:0_16:0)+NH4 1.5909 1.0442 0.6287 0.1203 2.8047 0.9294 0.6943 0.8310 0.0771 1.2793
TG(47:13)+NH4 1.6784 0.1173 0.5211 0.2360 0.5983 1.9663 1.2008 1.8329 0.0723 1.7767
TG(47:13)+NH4_1 0.7640 0.0672 0.1298 0.8060 0.6764 0.8270 2.6458 0.1342 1.3212 2.6283
TG(48:1)+H 1.5455 0.8935 0.6943 0.2783 1.8715 1.1290 0.9780 0.8935 0.3157 1.4006
TG(51:7)+NH4 0.9413 0.0423 1.3427 0.6928 1.1515 1.6485 1.3904 1.3235 0.9174 0.5495
TG(52:1)+H 0.8630 4.4577 0.0302 0.0037 0.0674 0.1270 0.1341 0.0516 0.0517 4.2135
TG(52:5)+Na 1.4494 0.0371 1.2055 0.6374 0.3797 1.8651 1.4827 1.6129 0.6152 0.7150
TG(53:10)+NH4 0.7286 0.0166 1.7544 0.6834 0.3455 2.2064 1.0649 2.1222 0.7891 0.2888
TG(54:11)+NH4 0.6677 0.0097 1.5059 1.1584 0.1241 1.5638 1.2411 1.7955 1.1832 0.7505
TG(54:12)+NH4 0.7868 0.0298 1.4511 1.0553 0.2554 1.7432 1.3757 1.7055 1.1590 0.4382
TG(54:1)+H 1.5164 1.1101 0.8030 0.2745 0.3839 1.7723 1.3532 1.1997 0.1123 1.4748
TG(55:11)+NH4 1.0533 0.0219 1.2508 1.1473 0.2022 1.8433 1.3636 1.5611 1.0345 0.5219
TG(60:11)+NH4 1.4920 0.0465 1.3439 1.8436 0.7402 0.5228 1.1427 0.4534 0.4279 1.9870
TG(62:11)+NH4 1.7581 0.0372 0.3655 0.4695 1.7235 0.7026 1.0870 0.3403 0.4600 3.0563
TG(8:0_12:0_14:0)+NH4 1.3790 1.0040 0.3564 0.2485 3.0989 0.6508 0.8677 0.6384 0.3093 1.4472
WE(4:0_18:3)+H 4.3616 2.6561 0.3761 0.6500 0.3201 0.0643 0.4138 0.2628 0.7451 0.1500
ZyE(16:0)+NH4 0.9200 0.0402 1.5660 0.6948 0.3387 2.1111 1.0949 2.1741 0.7263 0.3340
ZyE(32:0)+H 0.3635 0.7953 0.0096 0.0138 3.5347 0.0577 0.4890 NA 0.0208 3.7155
ZyE(34:0)+H NA 2.0000 NA NA NA NA NA NA NA 0.0000
Run Hierarchial cluster analysis on this study | Run Heatmap cluster analysis on this study

Factors:

F1Genotype:tango2 Mutant | Weight (mg):13.5
F2Genotype:tango2 Mutant | Weight (mg):15
F3Genotype:tango2 Mutant | Weight (mg):26
F4Genotype:tango2 Mutant | Weight (mg):69.5
F5Genotype:tango2 Mutant | Weight (mg):8
F6Genotype:Wildtype | Weight (mg):17
F7Genotype:Wildtype | Weight (mg):18.7
F8Genotype:Wildtype | Weight (mg):20
F9Genotype:Wildtype | Weight (mg):57.1
F10Genotype:Wildtype | Weight (mg):9
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