Data for (Study ST001269)

(Analysis AN002109)

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

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MetaboliteF1F2F3
15:0-18:1(d7)-15:0 TG(33:1) 13C0 [+K] [iSTD] 1.1804 0.9515 0.9313
15:0-18:1(d7)-15:0 TG(33:1) 13C0 [+Na] [iSTD] 0.9808 1.0835 0.8715
15:0-18:1(d7)-15:0 TG(33:1) 13C0 [+NH4] [iSTD] 0.9538 1.0584 0.9653
15:0-18:1(d7)-15:0 TG(33:1) 13C1 [+K] [iSTD] 1.2447 1.0254 0.8395
15:0-18:1(d7)-15:0 TG(33:1) 13C1 [+Na] [iSTD] 0.9701 1.0891 0.8733
15:0-18:1(d7)-15:0 TG(33:1) 13C1 [+NH4] [iSTD] 0.9491 1.0628 0.9640
15:0-18:1(d7)-15:0 TG(33:1) 13C2 [+NH4] [iSTD] 0.9721 1.0445 0.9667
15:0-18:1(d7) DG(33:1) 13C0 [+Na] [iSTD] 1.0310 1.0522 0.9217
15:0-18:1(d7) DG(33:1) 13C0 [+NH4] [iSTD] 0.9548 1.0461 0.9760
15:0-18:1(d7) DG(33:1) 13C1 [+NH4] [iSTD] 1.0000 NA NA
15:0-18:1(d7) PA(33:1) 13C0 [+NH4] [iSTD] 0.8984 1.0837 0.9062
15:0-18:1(d7) PC(33:1) 13C0 [+H] [iSTD] 0.9509 1.0959 0.9143
15:0-18:1(d7) PC(33:1) 13C0 [+Na] [iSTD] 0.8707 1.0180 1.0860
15:0-18:1(d7) PC(33:1) 13C1 [+H] [iSTD] 0.9501 1.0966 0.9140
15:0-18:1(d7) PC(33:1) 13C1 [+Na] [iSTD] 0.9484 1.0817 0.9386
15:0-18:1(d7) PC(33:1) 13C2 [+H] [iSTD] 0.9644 1.0872 0.9110
15:0-18:1(d7) PC(33:1) 13C2 [+Na] [iSTD] 0.7439 1.1282 0.7431
15:0-18:1(d7) PC(33:1) 13C3 [+H] [iSTD] 1.1034 1.0639 0.6989
15:0-18:1(d7) PE(33:1) 13C0 [+H] [iSTD] 0.8316 0.9419 1.2134
15:0-18:1(d7) PG(33:1) 13C0 [+NH4] [iSTD] 0.9266 0.9862 1.0897
15:0-18:1(d7) PG(33:1) 13C1 [+NH4] [iSTD] NA NA 1.0000
18:1(d7) Chol Ester(18:1) 13C0 [+K] [iSTD] 1.0602 0.8854 1.1492
18:1(d7) Chol Ester(18:1) 13C0 [+Na] [iSTD] 0.9459 1.0273 1.0169
18:1(d7) Chol Ester(18:1) 13C0 [+NH4] [iSTD] 0.9477 1.0311 1.0096
18:1(d7) Chol Ester(18:1) 13C1 [+K] [iSTD] 1.1294 0.8344 1.1547
18:1(d7) Chol Ester(18:1) 13C1 [+Na] [iSTD] 0.9495 1.0300 1.0080
18:1(d7) Chol Ester(18:1) 13C1 [+NH4] [iSTD] 0.9475 1.0273 1.0155
18:1(d7) Chol Ester(18:1) 13C2 [+Na] [iSTD] 0.9283 1.0664 0.9835
18:1(d7) Chol Ester(18:1) 13C2 [+NH4] [iSTD] 0.9521 1.0280 1.0088
18:1(d7) Chol Ester(18:1) 13C3 [+NH4] [iSTD] 0.9712 1.0306 0.9828
18:1(d7) LPC(18:1) 13C0 [+H] [iSTD] 0.9506 1.0907 0.9220
18:1(d7) LPC(18:1) 13C0 [+Na] [iSTD] 0.9517 1.0680 0.9507
18:1(d7) LPC(18:1) 13C1 [+H] [iSTD] 0.9646 1.0837 0.9158
18:1(d7) LPC(18:1) 13C1 [+Na] [iSTD] 0.9877 1.1491 0.8497
18:1(d7) LPE(18:1) 13C0 [+H] [iSTD] 0.9958 1.0292 0.9670
18:1(d7) MG(18:1) 13C0 [+Na] [iSTD] 1.0277 1.0929 0.8326
18:1(d7) MG(18:1) 13C1 [+Na] [iSTD] 0.9954 1.1081 0.7179
CE(14:0) 13C0 [+NH4] 0.8910 1.1654 0.8512
CE(14:0) 13C1 [+NH4] 0.7704 1.9508 0.3937
CE(15:0) 13C0 [+NH4] 0.2708 2.1901 0.2318
CE(15:0) 13C1 [+NH4] 0.6241 1.1880 NA
CE(16:0) 13C0 [+K] 1.0129 1.0318 0.6173
CE(16:0) 13C0 [+Na] 1.0650 0.9978 0.9356
CE(16:0) 13C0 [+NH4] 0.9598 1.0653 0.9432
CE(16:0) 13C1 [+K] 0.8842 1.2316 NA
CE(16:0) 13C1 [+Na] 1.0393 1.0000 0.9566
CE(16:0) 13C1 [+NH4] 0.9611 1.0658 0.9409
CE(16:0) 13C2 [+NH4] 0.9626 1.0666 0.9415
CE(16:1) 13C0 [+K] 1.0674 0.8652 NA
CE(16:1) 13C0 [+Na] 1.1208 0.8995 0.9836
CE(16:1) 13C0 [+NH4] 1.2462 0.9448 0.8411
CE(16:1) 13C1 [+K] NA 1.0000 NA
CE(16:1) 13C1 [+Na] 1.1048 0.7034 0.9209
CE(16:1) 13C1 [+NH4] 1.1871 0.9988 0.8061
CE(16:1) 13C2 [+NH4] 1.3021 0.8664 0.8561
CE(17:0) 13C0 [+NH4] 0.7734 1.3091 0.7732
CE(17:1) 13C0 [+NH4] 1.3698 0.8500 0.9141
CE(18:0) 13C0 [+NH4] 0.7096 1.3165 0.8747
CE(18:0) 13C1 [+NH4] 0.6756 1.3255 0.8766
CE(18:1) 13C0 [+K] 0.9116 1.1365 0.8252
CE(18:1) 13C0 [+Na] 1.1043 0.9512 0.9707
CE(18:1) 13C0 [+NH4] 0.9807 1.0176 0.9949
CE(18:1) 13C1 [+K] 0.9805 1.0069 1.0070
CE(18:1) 13C1 [+Na] 1.0875 0.9778 0.9434
CE(18:1) 13C1 [+NH4] 0.9796 1.0173 0.9966
CE(18:1) 13C2 [+K] NA 1.0000 NA
CE(18:1) 13C2 [+Na] 1.0974 0.8857 1.0394
CE(18:1) 13C2 [+NH4] 1.0515 0.9617 1.0081
CE(18:1) 13C3 [+NH4] 1.1773 0.9029 0.9578
CE(18:2) 13C0 [+K] 0.9078 1.0993 0.9465
CE(18:2) 13C0 [+Na] 1.0606 0.9241 1.0504
CE(18:2) 13C0 [+NH4] 0.9952 0.9512 1.0816
CE(18:2) 13C1 [+K] 0.8759 1.0990 0.9868
CE(18:2) 13C1 [+Na] 1.0551 0.9363 1.0376
CE(18:2) 13C1 [+NH4] 0.9938 0.9516 1.0827
CE(18:2) 13C2 [+K] 0.9649 1.0258 0.9844
CE(18:2) 13C2 [+Na] 1.1157 0.9076 1.0279
CE(18:2) 13C2 [+NH4] 1.0158 0.9435 1.0704
CE(18:2) 13C3 [+K] NA 1.0000 NA
CE(18:2) 13C3 [+Na] 1.0223 0.9888 NA
CE(18:2) 13C3 [+NH4] 1.1035 0.9086 1.0381
CE(18:3) 13C0 [+K] 1.1541 0.8459 NA
CE(18:3) 13C0 [+Na] 1.1876 0.7669 1.0412
CE(18:3) 13C0 [+NH4] 1.2793 0.8156 1.0215
CE(18:3) 13C1 [+K] 1.1740 0.8260 NA
CE(18:3) 13C1 [+Na] 1.1591 0.8664 0.9006
CE(18:3) 13C1 [+NH4] 1.1671 0.8774 0.9943
CE(18:3) 13C3 [+NH4] 1.0000 NA NA
CE(19:0) 13C0 [+NH4] 0.6174 1.6754 0.8985
CE(19:0) 13C1 [+NH4] 0.6070 1.1965 NA
CE(19:1) 13C0 [+NH4] 1.2124 0.8339 1.1015
CE(19:2) 13C0 [+NH4] 1.0762 0.6189 1.1143
CE(19:2) 13C1 [+NH4] 1.0727 0.6318 1.1115
CE(19:2) 13C2 [+NH4] 0.9516 NA 1.0484
CE(19:3) 13C0 [+NH4] 1.3613 0.6210 0.9185
CE(20:0) 13C0 [+NH4] 0.3120 1.8024 0.2436
CE(20:0) 13C1 [+NH4] 0.8383 1.2902 0.8072
CE(20:2) 13C0 [+NH4] 1.3458 0.9759 0.8572
CE(20:3) 13C0 [+K] NA 1.0000 NA
CE(20:3) 13C0 [+Na] 1.2842 0.8230 0.8553
CE(20:3) 13C0 [+NH4] 1.0490 1.0400 0.8897
CE(20:3) 13C1 [+K] NA 1.0000 NA
CE(20:3) 13C1 [+Na] NA 1.0000 NA
CE(20:3) 13C1 [+NH4] 0.9601 1.0471 0.9820
CE(20:3) 13C2 [+Na] NA NA 1.0000
CE(20:3) 13C2 [+NH4] NA 1.0000 NA
CE(20:4) 13C0 [+K] 0.8058 1.2819 0.8079
CE(20:4) 13C0 [+Na] 1.0308 0.9998 0.9655
CE(20:4) 13C0 [+NH4] 0.8946 1.0850 0.9854
CE(20:4) 13C1 [+K] 0.7893 1.3431 0.6709
CE(20:4) 13C1 [+Na] 1.0673 0.9879 0.9488
CE(20:4) 13C1 [+NH4] 0.8878 1.0697 1.0175
CE(20:4) 13C2 [+K] NA 1.0000 NA
CE(20:4) 13C2 [+Na] 0.9532 0.9531 1.2188
CE(20:4) 13C2 [+NH4] 0.9475 1.0723 0.9440
CE(20:4) 13C3 [+NH4] 1.1243 1.0527 0.8851
CE(20:5) 13C0 [+K] NA 1.0000 NA
CE(20:5) 13C0 [+Na] 1.2058 0.5131 0.8644
CE(20:5) 13C0 [+NH4] 0.9861 0.8898 1.1624
CE(20:5) 13C1 [+Na] 0.9585 NA 1.0830
CE(20:5) 13C1 [+NH4] 1.0432 0.9031 1.0937
CE(21:0) 13C0 [+NH4] 0.7540 1.3990 0.7961
CE(21:0) 13C1 [+NH4] 0.7392 1.4516 0.8092
CE(21:4) 13C0 [+NH4] 1.2365 0.7799 1.3221
CE(22:0) 13C0 [+NH4] 0.9225 1.2589 0.6892
CE(22:0) 13C1 [+NH4] 0.6820 1.4655 0.3869
CE(22:1) 13C0 [+NH4] 1.0580 1.0449 0.9140
CE(22:1) 13C1 [+NH4] 1.1914 0.8086 NA
CE(22:2) 13C0 [+NH4] 0.8989 1.0114 1.0949
CE(22:2) 13C1 [+NH4] 0.9449 0.9399 1.1686
CE(22:2) 13C2 [+NH4] 1.0000 NA NA
CE(22:6) 13C0 [+K] NA 1.0000 NA
CE(22:6) 13C0 [+Na] 0.8987 1.2027 NA
CE(22:6) 13C0 [+NH4] 0.9228 1.0711 0.9927
CE(22:6) 13C1 [+NH4] 0.8042 1.1473 1.0412
CE(23:0) 13C0 [+NH4] 0.8236 1.5035 0.3457
CE(23:0) 13C1 [+NH4] 0.6292 1.1854 NA
CE(23:2) 13C0 [+NH4] NA 1.2178 0.7822
CE(24:0) 13C0 [+NH4] 0.5411 1.2295 NA
CE(24:0) 13C1 [+NH4] NA 1.0000 NA
CE(24:2) 13C0 [+NH4] NA 1.0000 NA
CE(24:4) 13C0 [+NH4] 0.7896 1.1018 0.9028
CE(25:0) 13C0 [+NH4] 0.5775 1.2112 NA
CE(26:0) 13C0 [+NH4] NA 1.0000 NA
Cer-1P(38:2) 13C0 [+NH4] 0.9724 1.0454 0.9732
Cer-1P(38:2) 13C1 [+NH4] NA 1.0000 NA
Cer-1P(40:2) 13C0 [+NH4] 0.7664 1.2284 1.2439
Cer-1P(40:2) 13C1 [+NH4] NA 1.0000 NA
Cer-1P(42:2) 13C0 [+NH4] NA 1.0000 NA
Cer-1P(44:2) 13C0 [+NH4] 1.1002 0.9649 0.9300
Cer-1P(44:2) 13C1 [+NH4] 1.0522 1.2239 0.7239
Cer(30:0) 13C0 [+H] 0.6566 1.2936 0.7562
Cer(30:2) 13C0 [+H] NA 1.0000 NA
Cer(32:0) 13C0 [+H] 0.9169 1.1115 0.9223
Cer(32:0) 13C1 [+H] 0.8230 1.1487 0.8089
Cer(34:0) 13C0 [+H] 0.9115 1.1172 0.9164
Cer(34:0) 13C1 [+H] 0.9190 1.0751 0.9157
Cer(36:0) 13C0 [+H] 0.6404 1.3123 0.6498
Cer(36:3) 13C0 [+H] 6.3957 0.2886 0.1500
Cer(36:3) 13C1 [+H] 1.7504 0.2496 NA
Cer(36:3) 13C2 [+H] 1.0000 NA NA
Cer(38:3) 13C0 [+H] 1.0000 NA NA
Cer(38:3) 13C1 [+H] 1.0000 NA NA
Cer(40:0) 13C0 [+H] NA 1.0000 NA
Cer(40:2) 13C0 [+NH4] 1.0141 0.9859 NA
Cer(40:2) 13C1 [+NH4] 1.0000 NA NA
Cer(40:3) 13C0 [+H] 1.0000 NA NA
Cer(40:3) 13C1 [+H] 1.0000 NA NA
Cer(42:0) 13C0 [+H] NA 1.0000 NA
Cer(42:1) 13C0 [+H] NA 1.0000 NA
Cer(42:2) 13C0 [+NH4] 1.1243 1.0056 0.8033
Cer(42:2) 13C1 [+NH4] 1.1835 0.9821 0.7882
Cer(42:2) 13C2 [+NH4] 1.0000 NA NA
Cer(42:4) 13C0 [+H] 0.6278 1.3722 NA
Cer(42:4) 13C1 [+H] NA 1.0000 NA
Cer(44:0) 13C0 [+H] NA 1.0000 NA
Cer(44:4) 13C0 [+H] NA 1.0000 NA
Cholesterol 13C0 [+NH4] 0.7707 1.1528 NA
DAG(22:1) 13C0 [+NH4] 1.4362 1.0156 0.3145
DAG(22:1) 13C1 [+NH4] NA 1.0000 NA
DAG(22:2) 13C0 [+NH4] 1.4238 0.5762 NA
DAG(22:4) 13C0 [+NH4] 1.4414 0.7793 NA
DAG(24:3) 13C0 [+Na] 0.9022 NA 1.0978
DAG(24:3) 13C0 [+NH4] NA 1.0949 0.9367
DAG(26:1) 13C0 [+Na] 1.0000 NA NA
DAG(26:1) 13C1 [+Na] 1.0000 NA NA
DAG(26:2) 13C0 [+NH4] 1.0000 NA NA
DAG(28:0) 13C0 [+NH4] NA 1.0000 NA
DAG(30:0) 13C0 [+K] NA 1.0000 NA
DAG(30:0) 13C0 [+Na] NA 1.0000 NA
DAG(30:0) 13C0 [+NH4] 0.6567 1.3265 0.3806
DAG(30:0) 13C1 [+K] NA 1.0000 NA
DAG(30:0) 13C1 [+NH4] 0.4264 1.1912 NA
DAG(32:0) 13C0 [+K] NA 1.0000 NA
DAG(32:0) 13C0 [+Na] 0.6649 1.1676 NA
DAG(32:0) 13C0 [+NH4] 0.6021 1.5629 0.3283
DAG(32:0) 13C1 [+K] NA 1.0000 NA
DAG(32:0) 13C1 [+NH4] 0.5736 1.1705 NA
DAG(32:0) 13C2 [+K] NA 1.0000 NA
DAG(32:1) 13C0 [+NH4] NA NA 1.0000
DAG(32:3) 13C0 [+H] 1.9456 0.5945 0.6898
DAG(32:3) 13C0 [+Na] 1.9617 0.6935 0.8151
DAG(32:3) 13C0 [+NH4] 1.3306 0.7892 0.9512
DAG(32:3) 13C1 [+H] 3.9075 0.3373 0.2090
DAG(32:3) 13C1 [+NH4] 2.7711 0.2965 0.5228
DAG(32:4) 13C0 [+H] 1.0000 NA NA
DAG(32:6) 13C0 [+NH4] 1.0000 NA NA
DAG(34:0) 13C0 [+K] NA 1.0000 NA
DAG(34:0) 13C0 [+Na] 0.6920 1.0770 NA
DAG(34:0) 13C0 [+NH4] 0.5546 1.5908 0.3208
DAG(34:0) 13C1 [+K] NA 1.0000 NA
DAG(34:0) 13C1 [+NH4] 0.6042 1.4750 NA
DAG(34:0) 13C2 [+NH4] NA 1.0000 NA
DAG(34:1) 13C0 [+Na] 0.5683 1.1152 1.2012
DAG(34:1) 13C0 [+NH4] 0.7414 1.0354 1.1831
DAG(34:1) 13C1 [+NH4] 0.5136 0.9948 1.2535
DAG(34:2) 13C0 [+Na] 0.4746 1.1578 1.2099
DAG(34:2) 13C0 [+NH4] 0.8177 1.0019 1.1450
DAG(34:2) 13C1 [+NH4] 0.5924 0.7708 1.8659
DAG(34:3) 13C0 [+NH4] NA 0.7656 1.2344
DAG(34:6) 13C0 [+K] NA NA 1.0000
DAG(36:0) 13C0 [+K] NA 1.0000 NA
DAG(36:0) 13C0 [+Na] 0.7184 1.0704 NA
DAG(36:0) 13C0 [+NH4] 0.8745 1.2597 0.5390
DAG(36:0) 13C1 [+K] NA 1.0000 NA
DAG(36:0) 13C1 [+NH4] 0.7161 1.2271 NA
DAG(36:1) 13C0 [+NH4] 0.4123 1.1937 0.9080
DAG(36:1) 13C1 [+NH4] NA 1.1556 0.6888
DAG(36:1) 13C2 [+NH4] NA 1.0000 NA
DAG(36:2) 13C0 [+Na] 0.7826 0.9705 1.1941
DAG(36:2) 13C0 [+NH4] 0.7521 1.0231 1.2497
DAG(36:2) 13C1 [+Na] NA 1.0000 NA
DAG(36:2) 13C1 [+NH4] 0.6127 0.8840 1.7484
DAG(36:3) 13C0 [+K] 1.3451 NA 0.6549
DAG(36:3) 13C0 [+Na] 0.7574 0.9289 1.3544
DAG(36:3) 13C0 [+NH4] 1.1514 0.8681 1.0745
DAG(36:3) 13C1 [+Na] 0.6474 1.0074 1.2012
DAG(36:3) 13C1 [+NH4] 1.3912 0.7955 0.9275
DAG(36:4) 13C0 [+Na] 0.4032 1.3924 1.0163
DAG(36:4) 13C0 [+NH4] 0.9193 1.0236 1.0626
DAG(36:4) 13C1 [+Na] NA 1.0000 NA
DAG(36:4) 13C1 [+NH4] NA 1.0254 0.9492
DAG(38:0) 13C0 [+K] NA 1.0000 NA
DAG(38:0) 13C0 [+NH4] 0.6745 1.2604 NA
DAG(38:0) 13C1 [+NH4] 0.6152 1.1539 NA
DAG(38:11) 13C0 [+NH4] 1.0356 0.9592 1.0254
DAG(38:11) 13C1 [+NH4] 1.0195 1.0052 0.9715
DAG(38:11) 13C2 [+NH4] NA NA 1.0000
DAG(38:1) 13C0 [+NH4] 0.3209 1.2364 1.0882
DAG(38:1) 13C1 [+NH4] NA 1.3125 0.6875
DAG(38:1) 13C2 [+NH4] NA 1.0000 NA
DAG(38:2) 13C0 [+NH4] NA 1.0000 NA
DAG(38:2) 13C1 [+NH4] NA 1.0000 NA
DAG(38:4) 13C0 [+NH4] 0.6872 1.1564 NA
DAG(38:6) 13C0 [+NH4] NA NA 1.0000
DAG(40:0) 13C0 [+NH4] 0.7373 1.1751 NA
DAG(40:0) 13C1 [+NH4] 0.6278 1.0931 NA
DAG(40:11) 13C0 [+K] 1.0000 NA NA
DAG(40:1) 13C0 [+NH4] 0.2932 1.2343 1.0041
DAG(40:1) 13C1 [+NH4] NA 1.3032 0.8484
DAG(40:2) 13C0 [+NH4] 0.4527 1.5473 NA
DAG(40:2) 13C1 [+NH4] NA 1.0000 NA
DAG(40:3) 13C0 [+NH4] NA 1.0000 NA
DAG(40:4) 13C0 [+NH4] 0.8897 1.0551 NA
DAG(40:4) 13C1 [+NH4] 0.6548 1.1726 NA
DAG(40:5) 13C0 [+NH4] 0.8529 1.0368 NA
DAG(40:5) 13C1 [+NH4] 0.6261 1.1870 NA
DAG(42:0) 13C0 [+NH4] 0.7336 1.2664 NA
DAG(42:0) 13C1 [+NH4] NA 1.0000 NA
DAG(42:1) 13C0 [+NH4] NA 1.0000 NA
DAG(42:4) 13C0 [+NH4] 0.9336 1.1329 NA
DAG(42:5) 13C0 [+NH4] 0.8247 1.0584 NA
DAG(42:5) 13C1 [+NH4] 0.7121 1.1439 NA
DAG(44:0) 13C0 [+NH4] NA 1.0000 NA
DAG(44:3) 13C0 [+K] 1.0000 NA NA
DAG(44:4) 13C0 [+NH4] 1.0191 0.9905 NA
DAG(44:4) 13C1 [+NH4] 0.9814 1.0373 NA
DAG(46:0) 13C0 [+NH4] NA 1.0000 NA
DAG(46:4) 13C0 [+NH4] 0.9731 1.0179 NA
DAG(46:4) 13C1 [+NH4] NA 1.0000 NA
DAG(46:5) 13C0 [+NH4] NA 1.0000 NA
FA(11:1) 13C0 [+H] 0.9797 1.0354 0.9719
FA(11:1) 13C0 [+NH4] 1.0408 0.9033 1.0958
FA(11:1) 13C1 [+NH4] 1.0256 0.8455 1.2338
FA(12:1) 13C0 [+H] 0.9469 1.0374 1.0025
FA(12:1) 13C0 [+NH4] 0.9874 1.0439 0.9789
FA(12:1) 13C1 [+H] 1.1894 0.9645 0.9724
FA(13:1) 13C0 [+H] 1.0041 1.0220 0.9681
FA(14:0) 13C0 [+H] 0.9404 1.1167 0.8404
FA(14:0) 13C0 [+K] 1.1861 0.9070 NA
FA(14:1) 13C0 [+H] 0.9551 1.0610 0.9549
FA(14:1) 13C0 [+K] 0.5194 NA 1.2403
FA(14:1) 13C0 [+Na] 0.7822 1.0246 1.1205
FA(14:1) 13C0 [+NH4] 0.8068 0.9586 1.3544
FA(14:2) 13C0 [+H] 0.9340 1.0095 1.0387
FA(14:2) 13C0 [+NH4] 1.2606 1.0280 0.6270
FA(14:2) 13C1 [+NH4] 1.0074 0.9851 NA
FA(15:0) 13C0 [+NH4] 1.6828 0.8430 0.6412
FA(15:0) 13C1 [+NH4] 1.4884 0.5116 NA
FA(15:1) 13C0 [+H] 0.9862 1.0164 0.9962
FA(15:1) 13C0 [+NH4] 1.0826 0.9621 0.9703
FA(15:2) 13C0 [+H] NA NA 1.0000
FA(15:2) 13C0 [+NH4] 0.8538 1.1809 0.8574
FA(16:0) 13C0 [+H] 1.0008 1.0615 0.9103
FA(16:0) 13C0 [+NH4] 0.9977 0.9612 1.0569
FA(16:1) 13C0 [+H] 1.1771 0.8767 0.9787
FA(16:1) 13C0 [+NH4] 1.0783 1.0240 0.8813
FA(16:1) 13C1 [+NH4] 1.2350 0.8784 0.9821
FA(16:2) 13C0 [+H] 0.5819 0.8347 1.4570
FA(16:2) 13C0 [+NH4] 0.9431 0.9936 1.0946
FA(16:3) 13C0 [+H] 0.9982 0.9870 1.0203
FA(16:3) 13C1 [+H] 0.9373 1.1841 0.8989
FA(17:0) 13C0 [+H] 0.9281 1.0870 0.9558
FA(17:0) 13C0 [+NH4] 1.3244 0.8401 0.8780
FA(17:0) 13C1 [+NH4] 1.3545 0.8268 0.8694
FA(17:0) 13C2 [+NH4] 1.3640 0.8202 0.8605
FA(17:0) 13C3 [+H] NA 1.0000 NA
FA(17:1) 13C0 [+H] 0.9848 1.0043 1.0110
FA(17:1) 13C0 [+NH4] 0.9594 1.0800 0.9280
FA(17:1) 13C1 [+NH4] 0.9574 1.0883 0.9182
FA(17:1) 13C2 [+NH4] 0.9425 1.0639 0.7956
FA(17:2) 13C0 [+NH4] 0.8864 1.0484 1.0720
FA(17:2) 13C1 [+NH4] NA 1.0000 NA
FA(17:3) 13C0 [+H] 0.8267 1.1615 0.9829
FA(17:3) 13C0 [+NH4] 2.2116 0.7144 0.6624
FA(18:0) 13C0 [+H] NA 1.0134 0.9866
FA(18:0) 13C0 [+Na] NA 1.0000 NA
FA(18:0) 13C0 [+NH4] 1.0054 1.0406 0.9320
FA(18:0) 13C3 [+H] NA NA 1.0000
FA(18:1) 13C0 [+H] 1.0900 0.9420 0.9815
FA(18:1) 13C0 [+NH4] 1.0383 1.0623 0.8689
FA(18:1) 13C1 [+NH4] 1.0982 1.0018 0.9105
FA(18:2) 13C0 [+H] 1.0794 0.9699 0.9863
FA(18:2) 13C0 [+NH4] 1.0272 1.0157 0.9433
FA(18:2) 13C1 [+NH4] 0.9940 NA 1.0060
FA(18:3) 13C0 [+H] 0.9303 1.0523 0.9993
FA(18:3) 13C0 [+Na] 0.8224 1.2698 0.8538
FA(18:3) 13C0 [+NH4] 0.8477 1.1439 1.1015
FA(18:3) 13C1 [+H] 0.8642 1.1506 0.9723
FA(18:3) 13C2 [+H] NA 1.0000 NA
FA(18:4) 13C0 [+H] 0.8770 1.1131 0.9638
FA(18:4) 13C0 [+NH4] 0.8876 1.0627 0.9748
FA(18:4) 13C1 [+H] NA 1.0000 NA
FA(19:0) 13C0 [+H] 0.7591 1.1806 NA
FA(19:0) 13C0 [+NH4] 1.4228 0.8029 0.8306
FA(19:0) 13C1 [+NH4] 1.4483 0.7952 0.8068
FA(19:0) 13C2 [+NH4] 1.9380 0.6225 0.2508
FA(19:0) 13C3 [+H] NA 1.0000 NA
FA(19:1) 13C0 [+H] NA NA 1.0000
FA(19:1) 13C0 [+NH4] 0.9768 1.0725 0.9201
FA(19:1) 13C1 [+NH4] 0.9711 1.0739 0.9271
FA(19:2) 13C0 [+H] 1.1601 1.0723 0.6513
FA(19:2) 13C0 [+NH4] 0.9398 1.0386 1.0111
FA(19:2) 13C1 [+NH4] NA 1.0000 NA
FA(19:3) 13C0 [+NH4] NA 1.0000 NA
FA(19:4) 13C0 [+H] 0.6821 0.8720 1.2870
FA(20:0) 13C0 [+NH4] 1.0872 1.0086 0.9042
FA(20:1) 13C0 [+H] 1.1456 0.8970 0.9901
FA(20:1) 13C0 [+NH4] 0.9072 1.1223 0.9175
FA(20:2) 13C0 [+H] 1.2270 0.8483 0.9892
FA(20:2) 13C0 [+NH4] 1.1412 0.8588 NA
FA(20:3) 13C0 [+H] 1.0249 1.2399 0.7228
FA(20:3) 13C0 [+NH4] 1.0346 0.9654 NA
FA(21:0) 13C0 [+NH4] 1.0000 NA NA
FA(21:1) 13C0 [+NH4] NA NA 1.0000
FA(21:2) 13C0 [+NH4] 0.8243 1.1578 1.0824
FA(22:0) 13C0 [+NH4] 0.6682 1.1771 0.8005
FA(22:0) 13C1 [+NH4] NA NA 1.0000
FA(22:1) 13C0 [+NH4] 1.2252 0.9864 0.8447
FA(22:2) 13C0 [+NH4] 1.0692 1.1086 0.7650
FA(22:2) 13C1 [+NH4] 1.1079 0.9618 0.5818
FA(22:3) 13C0 [+NH4] 0.9948 1.1376 0.8077
FA(22:3) 13C1 [+NH4] 0.8654 1.3093 0.4558
FA(22:4) 13C0 [+NH4] 1.2858 0.7142 NA
FA(23:1) 13C0 [+H] NA 0.9816 1.0184
FA(23:2) 13C0 [+NH4] 1.1070 0.9643 NA
FA(24:0) 13C0 [+K] NA 1.0000 NA
FA(24:0) 13C0 [+NH4] NA 1.0000 NA
FA(24:1) 13C0 [+H] 0.9246 1.0431 0.9892
FA(24:1) 13C0 [+NH4] NA 1.2636 0.8682
FA(24:2) 13C0 [+NH4] 0.6298 0.7436 1.8830
FA(25:1) 13C0 [+H] 0.8268 1.2598 NA
FA(25:2) 13C0 [+NH4] 0.8935 1.0532 NA
FA(26:0) 13C0 [+K] NA 1.0000 NA
FA(26:0) 13C0 [+NH4] 1.2735 0.8632 NA
FA(26:1) 13C0 [+H] 0.8528 1.1472 0.9999
FA(26:1) 13C0 [+NH4] NA 1.0000 NA
FA(26:2) 13C0 [+NH4] 0.7165 NA 1.2835
FA(26:5) 13C0 [+H] NA 1.0000 NA
HexCer(30:0) 13C0 [+H] 0.5348 1.4652 NA
HexCer(30:0) 13C1 [+H] 0.4187 1.1453 NA
HexCer(30:2) 13C0 [+H] 0.9432 1.1955 0.8817
HexCer(30:2) 13C0 [+K] NA 1.0000 NA
HexCer(32:0) 13C0 [+H] 0.6107 1.3115 NA
HexCer(32:0) 13C1 [+H] 0.4558 1.1088 NA
HexCer(32:1) 13C0 [+H] NA 1.0584 0.8248
HexCer(34:0) 13C0 [+H] 0.6692 1.2646 NA
HexCer(34:0) 13C1 [+H] NA 1.0000 NA
HexCer(34:1) 13C0 [+H] 0.6750 1.4329 0.7838
HexCer(34:1) 13C1 [+H] NA 1.0000 NA
HexCer(36:0) 13C0 [+H] 0.6983 1.0603 NA
HexCer(36:0) 13C1 [+H] NA 1.0000 NA
HexCer(36:1) 13C0 [+H] 0.9805 0.9990 1.0216
HexCer(36:1) 13C1 [+H] NA 1.0000 NA
HexCer(38:0) 13C0 [+H] 0.7543 1.0614 NA
HexCer(38:0) 13C1 [+H] NA 1.0000 NA
HexCer(38:1) 13C0 [+H] 0.8047 1.0871 0.9776
HexCer(38:1) 13C1 [+H] NA 1.0000 NA
HexCer(38:2) 13C0 [+NH4] NA 1.2040 0.5919
HexCer(38:2) 13C1 [+NH4] NA 1.0000 NA
HexCer(38:2) 13C2 [+NH4] NA NA 1.0000
HexCer(38:4) 13C0 [+H] NA 1.0000 NA
HexCer(38:4) 13C0 [+NH4] 0.9016 0.9679 1.1141
HexCer(38:4) 13C1 [+NH4] 0.8212 1.1448 1.0339
HexCer(40:0) 13C0 [+H] NA 1.0000 NA
HexCer(40:1) 13C0 [+H] 0.9198 0.9554 1.1693
HexCer(40:1) 13C1 [+H] NA 1.0000 NA
HexCer(40:4) 13C0 [+NH4] 0.7887 1.2309 0.9804
HexCer(42:0) 13C0 [+H] NA 1.0000 NA
HexCer(42:1) 13C0 [+H] NA 1.0000 NA
LacCer(34:1) 13C0 [+H] NA 1.0000 NA
LacCer(36:0) 13C0 [+H] NA 1.0000 NA
LacCer(38:0) 13C0 [+H] NA 1.0000 NA
LacCer(40:2) 13C0 [+H] 1.0000 NA NA
LacCer(40:2) 13C1 [+H] 1.0000 NA NA
LacCer(42:2) 13C0 [+H] 1.0000 NA NA
LTB4-DMA 13C0 [+NH4] 1.0293 1.1889 0.2578
LTB4-DMA 13C1 [+NH4] 0.9279 1.2162 NA
LTB4-ETA 13C0 [+H] 0.8003 1.1079 1.0459
LTB4-ETA 13C0 [+NH4] 0.8705 1.2523 0.8750
LTB4-ETA 13C1 [+NH4] NA 1.0705 0.8589
LysoPA(20:0) 13C0 [+K] 1.0000 NA NA
LysoPA(20:1) 13C0 [+NH4] 1.1497 1.0648 0.6085
LysoPA(20:1) 13C1 [+NH4] 1.2258 0.7742 NA
LysoPA(20:3) 13C0 [+NH4] NA 1.0000 NA
LysoPA(22:1) 13C0 [+NH4] NA 1.0000 NA
LysoPA(24:0) 13C0 [+K] 1.1581 0.8312 1.0856
LysoPA(24:0) 13C1 [+K] 1.2399 0.7537 0.7666
LysoPA(24:1) 13C0 [+K] 1.4259 NA 0.5741
LysoPA(26:0) 13C0 [+K] 1.0000 NA NA
LysoPC(14:0) 13C0 [+H] 0.7472 1.2528 NA
LysoPC(16:0) 13C0 [+H] 0.8381 1.2360 0.8131
LysoPC(16:0) 13C0 [+Na] 0.9585 1.2325 0.7171
LysoPC(16:0) 13C1 [+H] 0.8576 1.2351 0.7909
LysoPC(16:0) 13C1 [+Na] 0.6390 2.9313 0.5758
LysoPC(16:0) 13C2 [+H] 0.7046 1.5175 0.6669
LysoPC(16:1) 13C0 [+H] 0.7696 1.8260 0.6348
LysoPC(16:1) 13C1 [+H] NA 1.0000 NA
LysoPC(18:0) 13C0 [+H] 0.8976 1.1102 0.9312
LysoPC(18:0) 13C0 [+Na] 0.8293 1.2602 0.7803
LysoPC(18:0) 13C1 [+H] 1.0396 1.0848 0.8445
LysoPC(18:0) 13C1 [+Na] NA 1.0000 NA
LysoPC(18:0) 13C2 [+H] NA 1.0000 NA
LysoPC(18:1) 13C0 [+H] 0.9110 1.1868 0.7991
LysoPC(18:1) 13C0 [+Na] NA 1.0000 NA
LysoPC(18:1) 13C1 [+H] 0.9742 1.2402 0.7256
LysoPC(18:1) 13C2 [+H] NA 1.0000 NA
LysoPC(18:2) 13C0 [+H] 0.9129 1.1358 0.8705
LysoPC(18:2) 13C0 [+Na] 0.9088 1.5305 0.6485
LysoPC(18:2) 13C1 [+H] 0.9716 1.1259 0.8306
LysoPC(18:2) 13C1 [+Na] NA 1.0000 NA
LysoPC(18:2) 13C2 [+H] NA 1.0000 NA
LysoPC(20:3) 13C0 [+H] 0.7597 1.3204 NA
LysoPC(20:4) 13C0 [+H] 0.8150 1.2775 0.7226
LysoPC(20:4) 13C0 [+Na] NA 1.0000 NA
LysoPC(20:4) 13C1 [+H] 0.5057 2.6154 0.3732
LysoPC(22:1) 13C0 [+Na] 0.8285 0.9564 1.5583
LysoPC(22:5) 13C0 [+H] NA 1.0000 NA
LysoPC(22:5) 13C1 [+H] NA 1.0000 NA
LysoPC(22:6) 13C0 [+H] NA 1.0000 NA
LysoPC(22:6) 13C1 [+H] NA 1.0000 NA
LysoPC(24:3) 13C0 [+K] 1.2519 0.4962 NA
LysoPC(24:3) 13C1 [+K] 1.0000 NA NA
LysoPC(26:0) 13C0 [+H] 1.1433 0.8567 NA
LysoPC-pmg(12:1) 13C0 [+H] 0.9579 1.1198 0.8521
LysoPC-pmg(12:1) 13C1 [+H] 1.1359 0.9878 0.8327
LysoPC-pmg(16:0) 13C0 [+H] NA 1.0000 NA
LysoPC-pmg(16:1) 13C0 [+H] NA 1.0000 NA
LysoPE(10:0) 13C0 [+NH4] 1.1502 1.0021 0.9228
LysoPE(14:0) 13C0 [+NH4] NA 1.0000 NA
LysoPE(16:1) 13C0 [+H] 1.0044 0.9363 1.0702
LysoPE(16:1) 13C0 [+Na] NA 1.0000 NA
LysoPE(16:1) 13C2 [+H] NA NA 1.0000
LysoPE(20:4) 13C0 [+NH4] 0.9470 0.8841 1.2427
LysoPE(20:4) 13C1 [+NH4] NA 1.0000 NA
LysoPE(22:4) 13C0 [+NH4] 0.9288 0.9467 1.1245
LysoPE-pmg(14:2) 13C0 [+H] 0.7770 0.7808 1.1323
LysoPG(18:3) 13C0 [+H] 0.9725 1.0275 NA
LysoPG(26:4) 13C0 [+H] 1.0000 NA NA
LysoPS(14:2) 13C0 [+H] NA 1.0000 NA
LysoPS(18:0) 13C0 [+NH4] 1.0000 NA NA
LysoPS(22:2) 13C0 [+NH4] 1.0000 NA NA
LysoPS(24:5) 13C0 [+NH4] 0.8493 0.9886 1.2229
LysoPS(24:5) 13C1 [+NH4] 0.8807 0.9873 1.1341
LysoPS(26:2) 13C0 [+NH4] 1.2564 0.9278 0.6796
LysoPS(26:2) 13C1 [+NH4] 1.5990 0.7005 NA
LysoPS(26:6) 13C0 [+NH4] 1.0000 NA NA
MAG(10:1) 13C0 [+H] NA 1.0000 NA
MAG(12:1) 13C0 [+H] NA 1.0000 NA
MAG(12:1) 13C0 [+NH4] NA 1.0000 NA
MAG(14:0) 13C0 [+NH4] 1.5344 0.4656 NA
MAG(14:0) 13C1 [+NH4] 1.0000 NA NA
MAG(14:1) 13C0 [+NH4] 1.4648 0.5352 NA
MAG(14:2) 13C0 [+K] 1.2528 0.9188 0.9097
MAG(14:2) 13C0 [+NH4] 1.0882 0.8236 NA
MAG(16:0) 13C0 [+Na] 0.9669 1.0904 0.9250
MAG(16:0) 13C0 [+NH4] 2.8785 0.7316 0.2621
MAG(16:1) 13C0 [+NH4] 1.2938 0.9286 0.8073
MAG(16:1) 13C1 [+NH4] 1.0000 NA NA
MAG(16:2) 13C0 [+NH4] 1.3544 1.0050 0.2863
MAG(16:3) 13C0 [+H] NA 1.0000 NA
MAG(16:3) 13C0 [+Na] NA 1.0000 NA
MAG(16:3) 13C0 [+NH4] 0.5725 1.2008 1.0149
MAG(18:0) 13C0 [+H] 0.8473 0.8521 1.1861
MAG(18:0) 13C0 [+K] 0.6982 NA 1.3018
MAG(18:0) 13C0 [+Na] 0.8848 1.0435 1.0578
MAG(18:0) 13C0 [+NH4] 1.3296 0.9796 0.7472
MAG(18:0) 13C1 [+Na] NA NA 1.0000
MAG(18:1) 13C0 [+H] 0.5581 1.1473 NA
MAG(18:1) 13C0 [+K] 0.9162 0.9269 1.1622
MAG(18:1) 13C0 [+Na] 0.6093 1.2859 0.3808
MAG(18:1) 13C0 [+NH4] 1.0624 1.0871 0.7901
MAG(18:1) 13C1 [+NH4] NA 1.0000 NA
MAG(18:2) 13C0 [+Na] 0.5623 1.2189 NA
MAG(18:2) 13C0 [+NH4] 1.2868 0.9044 NA
MAG(18:3) 13C0 [+NH4] 0.9211 1.0578 1.0032
MAG(20:1) 13C0 [+H] NA 1.0000 NA
MAG(20:1) 13C0 [+NH4] 0.4062 1.6650 0.6382
MAG(20:1) 13C1 [+NH4] NA 1.3630 0.2741
MAG(20:1) 13C2 [+NH4] NA 1.0000 NA
MAG(20:2) 13C0 [+NH4] 1.4167 0.9649 0.7991
MAG(20:3) 13C0 [+NH4] 0.7623 1.0737 1.2187
MAG(20:5) 13C0 [+Na] 0.3234 1.0512 1.4321
MAG(20:5) 13C1 [+Na] 0.4778 0.8752 1.2542
MAG(22:1) 13C0 [+H] NA 1.0464 0.9536
MAG(22:1) 13C0 [+NH4] 0.1949 1.4956 0.7830
MAG(22:1) 13C1 [+NH4] NA 1.6038 0.3962
MAG(22:1) 13C2 [+NH4] NA 1.0000 NA
MAG(22:2) 13C0 [+NH4] 0.3107 1.3969 0.5509
MAG(22:2) 13C1 [+NH4] NA 1.0000 NA
MAG(22:3) 13C0 [+NH4] NA 1.0000 NA
MAG(22:5) 13C0 [+NH4] 1.0000 NA NA
MAG(24:1) 13C0 [+H] NA 1.0000 NA
MAG(24:1) 13C0 [+NH4] 0.6980 1.1510 NA
MAG(24:2) 13C0 [+NH4] 1.2369 0.8460 1.0454
MAG(24:2) 13C3 [+NH4] 1.0000 NA NA
MAG(24:3) 13C0 [+NH4] NA 1.0000 NA
MAG(24:4) 13C0 [+H] 1.4574 0.8155 0.4985
MAG(24:4) 13C0 [+Na] 0.8971 0.9818 1.1393
MAG(24:4) 13C0 [+NH4] 0.9684 1.0158 NA
MAG(24:4) 13C1 [+Na] 1.0139 0.8689 1.2483
MAG(24:4) 13C1 [+NH4] 1.0000 NA NA
MAG(24:5) 13C0 [+H] 0.9164 1.1013 0.9404
MAG(24:5) 13C0 [+Na] 0.9429 1.0640 0.9788
MAG(24:5) 13C1 [+H] 0.9924 0.9556 1.0482
MAG(24:5) 13C1 [+Na] 0.9688 0.9814 1.0498
MAG(26:1) 13C0 [+H] NA 1.0000 NA
MAG(26:1) 13C0 [+NH4] 0.6909 1.2443 0.6412
MAG(26:2) 13C0 [+NH4] 0.8551 0.9557 1.2986
MAG(26:2) 13C1 [+NH4] 0.7694 1.2493 0.9907
MAG(26:3) 13C0 [+NH4] NA 1.0000 NA
MAG(26:5) 13C0 [+H] 0.7334 1.1261 1.0143
MAG(26:5) 13C0 [+NH4] 1.0000 NA NA
PA(44:0) 13C0 [+H] NA 1.2356 0.5288
PA(44:1) 13C0 [+H] 1.0729 0.8741 1.0530
PA(44:2) 13C0 [+H] NA 1.0000 NA
PA(44:7) 13C0 [+H] 1.2856 0.9197 0.7605
PA(44:7) 13C1 [+H] 1.0000 NA NA
PC(30:0) 13C0 [+H] 1.0844 0.9412 0.9573
PC(30:0) 13C1 [+H] 0.9898 1.2802 0.7606
PC(30:2) 13C0 [+Na] 1.0000 NA NA
PC(32:0) 13C0 [+H] 1.0020 1.1148 0.8112
PC(32:0) 13C1 [+H] 1.0492 1.0165 0.9042
PC(32:0) 13C2 [+H] 0.7859 1.2141 NA
PC(32:1) 13C0 [+H] 1.2298 0.9907 0.7747
PC(32:1) 13C0 [+Na] NA 1.0000 NA
PC(32:1) 13C1 [+H] 1.2083 0.9567 0.8281
PC(32:1) 13C2 [+H] 0.9935 1.0130 NA
PC(32:2) 13C0 [+H] 1.1568 0.9089 0.9224
PC(32:2) 13C1 [+H] 1.1814 0.8787 0.8795
PC(34:0) 13C0 [+H] 0.9819 1.0220 0.9858
PC(34:0) 13C1 [+H] 0.8636 1.4091 NA
PC(34:1) 13C0 [+H] 0.9780 1.1309 0.8282
PC(34:1) 13C1 [+H] 0.9798 1.1293 0.8286
PC(34:1) 13C2 [+H] 1.0317 1.0663 0.8561
PC(34:1) 13C3 [+H] 0.9757 1.0839 0.8764
PC(34:2) 13C0 [+H] 1.0045 1.0577 0.9084
PC(34:2) 13C0 [+K] 1.0000 NA NA
PC(34:2) 13C0 [+Na] 0.9649 1.0194 1.0086
PC(34:2) 13C1 [+H] 0.9912 1.0482 0.9351
PC(34:2) 13C1 [+Na] 1.0314 0.9722 1.0167
PC(34:2) 13C2 [+H] 1.0091 1.0408 0.9278
PC(34:2) 13C2 [+Na] 1.0000 NA NA
PC(34:2) 13C3 [+H] 1.0341 0.9925 0.9777
PC(34:3) 13C0 [+H] 1.2727 0.9035 0.8834
PC(34:3) 13C0 [+Na] 1.0062 1.2543 0.7271
PC(34:3) 13C1 [+H] 1.2683 0.8734 0.9307
PC(34:4) 13C0 [+H] 1.1565 NA 0.8435
PC(36:1) 13C0 [+H] 1.0222 1.0448 0.9052
PC(36:1) 13C1 [+H] 1.0709 1.0240 0.8891
PC(36:1) 13C2 [+H] 0.9726 1.1283 0.8688
PC(36:2) 13C0 [+H] 1.0144 0.9889 1.0006
PC(36:2) 13C1 [+H] 1.0133 0.9909 0.9989
PC(36:2) 13C2 [+H] 1.0710 0.9522 1.0008
PC(36:2) 13C3 [+H] 1.0390 0.8869 1.1194
PC(36:3) 13C0 [+H] 1.0463 1.0140 0.9245
PC(36:3) 13C1 [+H] 1.0689 1.0058 0.9138
PC(36:3) 13C2 [+H] 1.0980 1.0098 0.8777
PC(36:4) 13C0 [+H] 0.8752 1.1453 0.9181
PC(36:4) 13C0 [+Na] 0.9005 1.1057 0.9359
PC(36:4) 13C1 [+H] 0.8980 1.1307 0.9103
PC(36:4) 13C1 [+Na] 0.8495 1.0873 1.0268
PC(36:4) 13C2 [+H] 0.9155 1.1150 0.9094
PC(36:4) 13C2 [+Na] NA 0.9212 1.0788
PC(36:4) 13C3 [+H] 0.9272 1.2395 0.7787
PC(36:5) 13C0 [+H] 1.0000 NA NA
PC(36:5) 13C0 [+Na] 0.8751 1.3154 0.8096
PC(36:5) 13C1 [+H] 1.0000 NA NA
PC(36:9) 13C0 [+H] 1.0000 NA NA
PC(38:2) 13C0 [+H] 1.1599 0.9332 0.9204
PC(38:2) 13C1 [+H] 1.0735 0.8664 1.1202
PC(38:3) 13C0 [+H] 1.0835 0.9816 0.9324
PC(38:3) 13C1 [+H] 1.1674 0.9702 0.8785
PC(38:3) 13C2 [+H] 1.0660 1.0156 0.8960
PC(38:4) 13C0 [+H] 0.9192 1.1023 0.9310
PC(38:4) 13C0 [+Na] 0.9185 1.0377 1.0271
PC(38:4) 13C1 [+H] 0.9103 1.0891 0.9599
PC(38:4) 13C1 [+Na] 0.8037 1.0966 1.1336
PC(38:4) 13C2 [+H] 0.9683 1.0611 0.9332
PC(38:4) 13C2 [+Na] NA 1.3000 0.7000
PC(38:4) 13C3 [+H] 0.7261 1.4308 0.9527
PC(38:5) 13C0 [+H] 0.9115 1.0786 0.9789
PC(38:5) 13C0 [+Na] 0.8889 1.0874 0.9861
PC(38:5) 13C1 [+H] 0.9513 1.0581 0.9609
PC(38:5) 13C1 [+Na] 0.8322 0.9951 1.3452
PC(38:5) 13C2 [+H] 1.1941 0.9883 0.8716
PC(38:6) 13C0 [+H] 0.9449 1.0484 0.9778
PC(38:6) 13C0 [+Na] 0.8333 1.2267 0.9354
PC(38:6) 13C1 [+H] 0.9350 1.0519 0.9837
PC(38:6) 13C1 [+Na] 0.7037 1.1773 1.0995
PC(38:6) 13C2 [+H] 0.8867 1.2434 0.6961
PC(40:4) 13C0 [+H] 1.0305 1.0450 0.8839
PC(40:4) 13C1 [+H] 1.0205 1.0385 0.9166
PC(40:5) 13C0 [+H] 1.0450 1.0132 0.9308
PC(40:5) 13C1 [+H] 0.9208 1.0784 0.9748
PC(40:5) 13C2 [+H] 0.8975 0.9786 1.3930
PC(40:6) 13C0 [+H] 0.9103 1.0672 0.9960
PC(40:6) 13C0 [+Na] 0.5171 1.2815 1.0404
PC(40:6) 13C1 [+H] 0.9631 1.0828 0.9165
PC(40:6) 13C1 [+Na] NA 1.0000 NA
PC(40:6) 13C2 [+H] 0.8284 1.1441 1.0042
PC(40:7) 13C0 [+H] NA 1.0000 NA
PC(40:7) 13C1 [+H] NA 1.0000 NA
PC(44:12) 13C0 [+K] NA 1.0000 NA
PC-pmg(32:0) 13C0 [+H] 1.1039 1.0026 0.7845
PC-pmg(32:0) 13C1 [+H] NA 1.0000 NA
PC-pmg(32:0) 13C3 [+H] 1.2644 0.7672 0.6407
PC-pmg(32:1) 13C0 [+H] 0.9264 1.0307 1.2574
PC-pmg(32:1) 13C1 [+H] NA 1.0000 NA
PC-pmg(32:6) 13C0 [+K] 0.8994 0.9399 1.4221
PC-pmg(34:1) 13C0 [+H] 1.0432 1.0378 0.8680
PC-pmg(34:1) 13C1 [+H] 0.9512 1.0831 0.9385
PC-pmg(34:2) 13C0 [+H] 1.0806 1.0084 0.8978
PC-pmg(34:2) 13C1 [+H] 1.0708 0.9642 0.9704
PC-pmg(34:3) 13C0 [+H] 1.0983 0.9704 0.9406
PC-pmg(34:3) 13C1 [+H] 1.0852 0.8375 1.1972
PC-pmg(36:2) 13C0 [+H] 1.1594 0.9543 0.8408
PC-pmg(36:2) 13C1 [+H] 0.8881 1.1119 NA
PC-pmg(36:3) 13C0 [+H] 1.0536 1.0241 0.9081
PC-pmg(36:3) 13C1 [+H] 1.1006 0.8701 1.1549
PC-pmg(36:4) 13C0 [+H] 1.0417 1.0286 0.9096
PC-pmg(36:4) 13C1 [+H] 1.1054 1.0193 0.8687
PC-pmg(36:4) 13C2 [+H] 0.7421 1.2316 1.0790
PC-pmg(36:5) 13C0 [+H] 1.0242 1.0045 0.9660
PC-pmg(36:5) 13C1 [+H] 0.9422 1.0606 0.9917
PC-pmg(38:3) 13C0 [+H] NA 1.0000 NA
PC-pmg(38:4) 13C0 [+H] 1.0618 1.0629 0.8376
PC-pmg(38:4) 13C1 [+H] 1.0281 1.0886 0.8299
PC-pmg(38:4) 13C2 [+H] NA 1.0000 NA
PC-pmg(38:5) 13C0 [+H] 0.9866 1.0796 0.8845
PC-pmg(38:5) 13C0 [+Na] NA 1.0000 NA
PC-pmg(38:5) 13C1 [+H] 1.0463 1.0583 0.8574
PC-pmg(38:5) 13C2 [+H] 0.8436 1.1308 1.0639
PC-pmg(38:6) 13C0 [+H] 0.9175 1.0970 0.9706
PC-pmg(38:6) 13C1 [+H] 0.9483 1.1729 0.8714
PC-pmg(40:4) 13C0 [+H] 0.6775 1.6451 NA
PC-pmg(40:4) 13C1 [+H] NA 1.0000 NA
PC-pmg(40:5) 13C0 [+H] 0.8965 1.0582 1.0477
PC-pmg(40:5) 13C1 [+H] 0.6542 1.3458 NA
PC-pmg(40:6) 13C0 [+H] 0.9455 1.1775 0.8268
PC-pmg(40:6) 13C1 [+H] NA 1.0000 NA
PC-pmg(40:7) 13C0 [+H] 0.6463 1.5794 0.7742
PC-pmg(40:7) 13C1 [+H] NA 1.0000 NA
PC-pmg(42:1) 13C0 [+H] NA 1.0000 NA
PC-pmg(42:4) 13C0 [+H] NA 1.0000 NA
PC-pmg(42:5) 13C0 [+H] 0.6900 1.4134 NA
PC-pmg(42:5) 13C1 [+H] NA 1.0000 NA
PC-pmg(42:6) 13C0 [+H] 0.6133 1.1934 NA
PC-pmg(42:6) 13C1 [+H] NA 1.0000 NA
PC-pmg(44:1) 13C0 [+H] NA 1.0000 NA
PC-pmg(44:5) 13C0 [+H] 0.6945 1.3055 NA
PC-pmg(44:5) 13C1 [+H] NA 1.0000 NA
PC-pmg(44:6) 13C0 [+H] 0.7546 1.1636 NA
PC-pmg(44:6) 13C1 [+H] NA 1.0000 NA
PC-pmg(44:7) 13C0 [+H] NA 1.0000 NA
PE(24:4) 13C0 [+H] 0.9122 1.6480 0.6153
PE(26:0) 13C0 [+H] 1.0000 NA NA
PE(26:2) 13C0 [+H] 1.0115 0.9885 NA
PE(28:0) 13C0 [+H] NA NA 1.0000
PE(30:2) 13C0 [+K] 1.0000 NA NA
PE(34:0) 13C0 [+H] NA 1.0000 NA
PE(34:1) 13C0 [+H] 1.0000 NA NA
PE(34:2) 13C0 [+H] 1.3996 0.8002 NA
PE(34:9) 13C0 [+H] 1.1267 0.9182 0.9829
PE(34:9) 13C1 [+H] 1.4384 0.9130 0.7506
PE(36:0) 13C0 [+H] NA 1.0000 NA
PE(36:1) 13C0 [+H] 1.0124 0.9420 1.0987
PE(36:1) 13C1 [+H] 0.9456 1.1320 0.9496
PE(36:2) 13C0 [+H] 1.0689 0.9097 1.0848
PE(36:2) 13C0 [+NH4] NA 1.0000 NA
PE(36:2) 13C1 [+H] 0.8905 1.0344 1.1122
PE(36:3) 13C0 [+H] 1.6963 0.6518 NA
PE(36:4) 13C0 [+H] NA 1.0000 NA
PE(36:6) 13C0 [+K] 0.9016 1.1363 0.9565
PE(38:1) 13C0 [+H] 1.0804 0.8607 1.2113
PE(38:1) 13C1 [+H] 0.8912 1.0765 1.0794
PE(38:2) 13C0 [+H] 1.0411 0.9381 1.0555
PE(38:2) 13C1 [+H] 1.0816 0.8811 1.0994
PE(38:2) 13C2 [+H] NA 1.0000 NA
PE(38:2) 13C3 [+H] 0.9708 1.2861 0.5766
PE(38:3) 13C0 [+H] 0.9960 0.9696 1.0689
PE(38:3) 13C1 [+H] 1.0000 NA NA
PE(38:4) 13C0 [+H] 0.7791 1.1547 1.0683
PE(38:4) 13C1 [+H] 0.7017 1.2513 1.0076
PE(38:5) 13C0 [+H] NA 1.0000 NA
PE(38:6) 13C0 [+H] NA 1.3768 0.6232
PE(40:2) 13C0 [+H] 0.9435 1.0746 1.0385
PE(40:3) 13C0 [+H] 0.9913 1.0212 0.9866
PE(40:3) 13C1 [+H] 0.9288 1.0712 NA
PE(40:4) 13C0 [+H] 0.9259 1.0392 1.0154
PE(40:4) 13C1 [+H] 0.8646 1.0737 1.0403
PE(40:6) 13C0 [+H] NA 1.0533 0.8401
PE(42:6) 13C0 [+H] NA 1.0000 NA
PE-pmg(26:0) 13C0 [+H] NA NA 1.0000
PE-pmg(26:1) 13C0 [+Na] 0.6504 0.7394 1.3051
PE-pmg(26:4) 13C0 [+NH4] 0.8966 0.8810 1.3208
PE-pmg(28:3) 13C0 [+H] 1.0709 NA 0.9291
PE-pmg(34:9) 13C0 [+H] 1.1878 0.8678 1.0545
PE-pmg(34:9) 13C1 [+H] 1.1847 NA 0.6306
PE-pmg(36:4) 13C0 [+H] 0.9984 1.2570 0.6152
PE-pmg(36:4) 13C0 [+K] 1.0000 NA NA
PE-pmg(36:4) 13C0 [+NH4] 0.8956 0.9607 1.1676
PE-pmg(36:4) 13C1 [+H] NA 1.0000 NA
PE-pmg(36:4) 13C1 [+NH4] 0.7967 1.1276 1.0060
PE-pmg(36:6) 13C0 [+K] 1.0081 0.9023 1.1076
PE-pmg(36:9) 13C0 [+H] 1.0000 NA NA
PE-pmg(38:4) 13C0 [+H] 0.7630 1.2826 1.0070
PE-pmg(38:4) 13C0 [+K] 0.6315 0.7648 1.6038
PE-pmg(38:4) 13C0 [+NH4] 0.9482 1.0226 1.0130
PE-pmg(38:4) 13C1 [+H] 1.0993 1.1416 0.4760
PE-pmg(38:4) 13C1 [+NH4] NA 1.0000 NA
PE-pmg(38:5) 13C0 [+H] 1.0276 1.1608 0.4625
PE-pmg(38:5) 13C0 [+K] 1.0480 0.9295 0.9990
PE-pmg(38:5) 13C1 [+H] NA 1.0000 NA
PE-pmg(38:5) 13C1 [+K] NA NA 1.0000
PE-pmg(40:4) 13C0 [+H] NA 1.0000 NA
PE-pmg(40:6) 13C0 [+H] NA 1.0000 NA
PE-pmg(40:7) 13C0 [+Na] 1.4659 0.5341 NA
PE-pmg(42:7) 13C0 [+Na] 1.0000 NA NA
PE-pmg(44:0) 13C0 [+H] NA 1.0000 NA
PE-pmg(44:8) 13C0 [+H] 1.1083 0.9292 0.9973
PE-pmg(44:8) 13C1 [+H] 1.1160 0.7927 1.0913
PG(24:2) 13C0 [+H] 1.0000 NA NA
PG(26:0) 13C0 [+H] NA 1.0000 NA
PG(28:0) 13C0 [+H] NA 1.0000 NA
PG(28:0) 13C1 [+H] NA 1.0000 NA
PG(28:3) 13C0 [+H] 1.2729 0.4541 NA
PG(30:0) 13C0 [+H] NA 1.0000 NA
PG(30:0) 13C1 [+H] NA 1.0000 NA
PG(32:0) 13C0 [+H] NA 1.0000 NA
PGA2 13C0 [+H] 0.9103 1.0448 NA
PGD2 13C0 [+H] NA 1.0000 NA
PGE1 13C0 [+NH4] 0.6742 1.2104 0.8577
PGE1 13C1 [+NH4] NA 1.0000 NA
PGG2 13C0 [+NH4] 1.0000 NA NA
PI(44:4) 13C0 [+H] 1.0000 NA NA
PI(44:4) 13C1 [+H] 1.0000 NA NA
PIP(47:3) 13C0 [+H] 0.8250 1.0632 1.1304
PIP(47:3) 13C1 [+H] 0.8146 1.1666 1.0189
PIP(47:3) 13C2 [+H] 1.0680 0.9095 1.0113
Polydimethylsiloxane(C10H30O5Si5) 13C0 [+H] 1.1273 0.9713 0.9048
Polydimethylsiloxane(C10H30O5Si5) 13C0 [+Na] 1.2485 0.7515 NA
Polydimethylsiloxane(C10H30O5Si5) 13C0 [+NH4] 1.1594 0.9703 0.8717
Polydimethylsiloxane(C10H30O5Si5) 13C1 [+H] 1.1490 0.9669 0.8975
Polydimethylsiloxane(C10H30O5Si5) 13C1 [+NH4] 1.1293 0.8061 NA
Polydimethylsiloxane(C12H36O6Si6) 13C0 [+H] 0.9259 1.0228 1.0466
Polydimethylsiloxane(C12H36O6Si6) 13C0 [+Na] NA 1.1965 0.8035
Polydimethylsiloxane(C12H36O6Si6) 13C0 [+NH4] 0.9391 1.0229 1.0323
Polydimethylsiloxane(C12H36O6Si6) 13C1 [+H] 0.9277 1.0209 1.0458
Polydimethylsiloxane(C12H36O6Si6) 13C1 [+NH4] 0.9387 1.0257 1.0275
Polydimethylsiloxane(C14H42O7Si7) 13C0 [+NH4] 0.9612 1.0138 1.0216
Polydimethylsiloxane(C14H42O7Si7) 13C1 [+NH4] 0.9667 1.0076 1.0231
Polydimethylsiloxane(C16H48O8Si8) 13C0 [+K] 0.9909 1.0308 0.9711
Polydimethylsiloxane(C16H48O8Si8) 13C0 [+NH4] 0.9678 1.0310 0.9898
Polydimethylsiloxane(C16H48O8Si8) 13C1 [+NH4] 0.9429 1.0492 0.9862
Polydimethylsiloxane(C18H54O9Si9) 13C0 [+NH4] 1.0022 1.0235 0.9646
Polydimethylsiloxane(C18H54O9Si9) 13C1 [+NH4] 1.0318 1.0095 0.9560
Polydimethylsiloxane(C20H60O10Si10) 13C0 [+NH4] 1.0133 0.9873 1.0051
Polydimethylsiloxane(C20H60O10Si10) 13C1 [+NH4] 0.9871 0.9915 1.0231
Polydimethylsiloxane(C22H66O11Si11) 13C0 [+NH4] 1.0315 1.0086 0.9466
Polydimethylsiloxane(C24H72O12Si12) 13C0 [+NH4] 1.1487 0.9552 0.8574
Polydimethylsiloxane(C26H78O13Si13) 13C0 [+NH4] 1.1179 0.9759 0.8794
Polydimethylsiloxane(C28H84O14Si14) 13C0 [+NH4] 1.3593 0.9811 0.7333
Polydimethylsiloxane(C30H90O15Si15) 13C0 [+NH4] 1.2455 0.9880 0.7691
Polydimethylsiloxane(C32H96O16Si16) 13C0 [+NH4] 1.2943 0.9432 0.7448
Polydimethylsiloxane(C34H102O17Si17) 13C0 [+NH4] 1.1752 0.9038 0.8420
Polydimethylsiloxane(C36H108O18Si18) 13C0 [+NH4] 1.1879 0.8121 NA
Polydimethylsiloxane(C38H114O19Si19) 13C0 [+NH4] 1.8278 0.7241 NA
Polydimethylsiloxane(C40H120O20Si20) 13C0 [+NH4] 1.0000 NA NA
Polydimethylsiloxane(C42H126O21Si21) 13C0 [+NH4] 1.0000 NA NA
PS(24:0) 13C0 [+H] 1.2859 0.8570 NA
PS(26:0) 13C0 [+H] 0.9958 1.0311 0.9493
PS(26:0) 13C1 [+H] 1.0411 1.0001 0.9450
PS(36:1) 13C0 [+H] NA NA 1.0000
PS-pmg(24:1) 13C0 [+H] NA NA 1.0000
PS-pmg(26:1) 13C0 [+H] 0.9922 0.9816 1.0643
PS-pmg(26:1) 13C1 [+H] 1.0000 NA NA
PS-pmg(30:2) 13C0 [+H] 1.1061 0.8939 NA
PS-pmg(30:4) 13C0 [+H] 1.0000 1.0156 0.9780
PS-pmg(30:4) 13C1 [+H] 0.9761 0.9993 1.0290
SM(30:2) 13C0 [+Na] 0.8770 1.3936 0.3115
SM(32:1) 13C0 [+H] 1.0513 0.9237 1.0609
SM(32:1) 13C1 [+H] 0.9554 1.1855 0.8740
SM(34:0) 13C0 [+H] 1.0229 1.1574 0.7837
SM(34:0) 13C1 [+H] NA 1.0000 NA
SM(34:1) 13C0 [+H] 0.9823 1.1389 0.8107
SM(34:1) 13C0 [+Na] 1.1210 0.9436 0.9872
SM(34:1) 13C1 [+H] 1.0105 1.0906 0.8413
SM(34:1) 13C1 [+Na] 0.9258 1.0269 1.1194
SM(34:1) 13C2 [+H] 1.0282 0.9759 1.0128
SM(34:2) 13C0 [+H] 1.0049 1.0085 0.9793
SM(34:2) 13C1 [+H] 1.0077 0.9437 1.1178
SM(36:1) 13C0 [+H] 0.9062 1.0965 0.9389
SM(36:1) 13C0 [+Na] 0.6118 0.9998 1.3888
SM(36:1) 13C1 [+H] 0.9092 1.0540 1.0174
SM(36:1) 13C2 [+H] NA 1.0000 NA
SM(36:2) 13C0 [+H] 0.9471 1.0710 0.9385
SM(36:2) 13C1 [+H] 0.9559 0.9976 1.0485
SM(36:3) 13C0 [+H] NA 1.0000 NA
SM(38:1) 13C0 [+H] 1.0528 1.0060 0.9348
SM(38:1) 13C1 [+H] 0.9514 1.0176 1.0409
SM(38:1) 13C2 [+H] NA 1.0000 NA
SM(38:2) 13C0 [+H] 0.9698 1.0273 0.9878
SM(38:2) 13C1 [+H] 0.7040 1.3968 1.0945
SM(40:1) 13C0 [+H] 1.1072 1.0033 0.8876
SM(40:1) 13C0 [+Na] NA 0.7753 1.2247
SM(40:1) 13C1 [+H] 1.0890 0.9910 0.9163
SM(40:1) 13C2 [+H] 1.7147 0.8205 1.0032
SM(40:2) 13C0 [+H] 1.0213 1.0090 0.9603
SM(40:2) 13C0 [+Na] NA NA 1.0000
SM(40:2) 13C1 [+H] 1.0379 1.0322 0.9144
SM(40:2) 13C2 [+H] 0.9959 1.0020 NA
SM(40:3) 13C0 [+H] 0.6914 1.3721 0.8730
SM(40:3) 13C1 [+H] NA 1.0000 NA
SM(42:1) 13C0 [+H] 1.1330 0.9866 0.8835
SM(42:1) 13C1 [+H] 1.0040 1.0738 0.8868
SM(42:1) 13C2 [+H] 0.9929 1.0071 NA
SM(42:2) 13C0 [+H] 0.9936 1.1353 0.7874
SM(42:2) 13C0 [+Na] 0.9273 1.0850 0.9784
SM(42:2) 13C1 [+H] 1.0472 1.0900 0.7930
SM(42:2) 13C1 [+Na] 1.0290 1.0630 0.7238
SM(42:2) 13C2 [+H] 1.0344 1.0497 0.8406
SM(42:3) 13C0 [+H] 0.9898 1.0861 0.8529
SM(42:3) 13C0 [+Na] 0.9672 1.0219 NA
SM(42:3) 13C1 [+H] 1.0661 1.0680 0.8093
SM(42:3) 13C2 [+H] 0.8496 1.2279 0.8450
Sphingosine 13C0 [+K] NA 1.0000 NA
Sphingosine 13C0 [+Na] 1.2023 0.8449 0.9629
Sulfatide(32:2) 13C0 [+NH4] 0.4579 1.0935 1.1776
Sulfatide(36:2) 13C0 [+Na] NA 0.8020 1.1980
TAG(44:0) 13C0 [+Na] NA 0.5481 1.1506
TAG(44:0) 13C0 [+NH4] 0.5934 1.0840 1.2655
TAG(44:0) 13C1 [+Na] NA NA 1.0000
TAG(44:0) 13C1 [+NH4] 0.6438 1.0030 1.2985
TAG(44:0) 13C2 [+NH4] NA NA 1.0000
TAG(44:1) 13C0 [+Na] NA NA 1.0000
TAG(44:1) 13C0 [+NH4] 0.6718 0.9209 1.3970
TAG(44:1) 13C1 [+Na] NA NA 1.0000
TAG(44:1) 13C1 [+NH4] 0.6641 0.9234 1.3712
TAG(44:1) 13C2 [+NH4] NA 0.9975 1.0013
TAG(44:2) 13C0 [+Na] NA NA 1.0000
TAG(44:2) 13C0 [+NH4] 0.7467 0.8397 1.5585
TAG(44:2) 13C1 [+NH4] 0.9530 0.7735 1.3066
TAG(44:2) 13C2 [+NH4] NA NA 1.0000
TAG(44:3) 13C0 [+NH4] 1.0041 NA 0.9979
TAG(44:3) 13C1 [+NH4] NA NA 1.0000
TAG(46:0) 13C0 [+Na] 0.6023 0.9048 1.4873
TAG(46:0) 13C0 [+NH4] 0.6832 1.0499 1.2578
TAG(46:0) 13C1 [+Na] NA NA 1.0000
TAG(46:0) 13C1 [+NH4] 0.6451 1.0709 1.2568
TAG(46:0) 13C2 [+NH4] 0.8124 1.0299 1.0415
TAG(46:1) 13C0 [+Na] 0.6110 0.9959 1.2844
TAG(46:1) 13C0 [+NH4] 0.6556 0.9756 1.3965
TAG(46:1) 13C1 [+Na] NA 0.9277 1.0723
TAG(46:1) 13C1 [+NH4] 0.5853 1.0333 1.3854
TAG(46:1) 13C2 [+Na] 1.9637 0.7958 0.6978
TAG(46:1) 13C2 [+NH4] 0.7742 0.9969 1.0794
TAG(46:2) 13C0 [+Na] 0.7865 0.9506 1.1932
TAG(46:2) 13C0 [+NH4] 0.6546 0.9767 1.3656
TAG(46:2) 13C1 [+Na] NA 0.6771 1.1614
TAG(46:2) 13C1 [+NH4] 0.6386 1.0147 1.2310
TAG(46:2) 13C2 [+Na] 0.4226 1.2984 0.6952
TAG(46:2) 13C2 [+NH4] 1.0046 1.0319 0.9829
TAG(46:3) 13C0 [+Na] NA NA 1.0000
TAG(46:3) 13C0 [+NH4] 0.9038 0.8234 1.3130
TAG(46:3) 13C1 [+Na] NA NA 1.0000
TAG(46:3) 13C1 [+NH4] 0.9813 0.7402 1.3341
TAG(46:4) 13C0 [+NH4] NA NA 1.0000
TAG(46:4) 13C1 [+NH4] NA NA 1.0000
TAG(48:0) 13C0 [+K] 0.7276 1.2679 0.7366
TAG(48:0) 13C0 [+Na] 0.6560 1.2003 1.0317
TAG(48:0) 13C0 [+NH4] 0.5855 1.1421 1.2493
TAG(48:0) 13C1 [+K] NA 1.0000 NA
TAG(48:0) 13C1 [+Na] 0.6279 0.9944 1.2083
TAG(48:0) 13C1 [+NH4] 0.6211 1.0864 1.2320
TAG(48:0) 13C2 [+NH4] 0.5967 1.1607 1.0546
TAG(48:1) 13C0 [+K] 1.0279 1.2599 0.4522
TAG(48:1) 13C0 [+Na] 0.7316 0.8937 1.3819
TAG(48:1) 13C0 [+NH4] 0.6535 0.9376 1.6005
TAG(48:1) 13C1 [+K] 1.4528 0.9693 0.6086
TAG(48:1) 13C1 [+Na] 0.6316 1.0568 1.2748
TAG(48:1) 13C1 [+NH4] 0.6691 0.9017 1.6638
TAG(48:1) 13C2 [+Na] NA 1.3532 0.8234
TAG(48:1) 13C2 [+NH4] 0.6567 0.9588 1.4307
TAG(48:1) 13C3 [+NH4] NA 1.2928 0.7072
TAG(48:2) 13C0 [+K] 0.9586 1.2922 0.5928
TAG(48:2) 13C0 [+Na] 0.7238 0.9623 1.2825
TAG(48:2) 13C0 [+NH4] 0.6639 0.9385 1.5675
TAG(48:2) 13C1 [+K] 1.4466 0.9913 0.5708
TAG(48:2) 13C1 [+Na] 0.6367 0.9471 1.3876
TAG(48:2) 13C1 [+NH4] 0.6928 0.8710 1.6774
TAG(48:2) 13C2 [+Na] NA 1.1425 0.9430
TAG(48:2) 13C2 [+NH4] 0.6691 0.9874 1.3461
TAG(48:3) 13C0 [+K] 1.0384 0.9616 NA
TAG(48:3) 13C0 [+Na] 0.8166 0.9948 1.0658
TAG(48:3) 13C0 [+NH4] 0.7289 0.8972 1.4597
TAG(48:3) 13C1 [+K] 1.0000 NA NA
TAG(48:3) 13C1 [+Na] 0.5811 1.0770 1.1324
TAG(48:3) 13C1 [+NH4] 0.6189 0.9661 1.5067
TAG(48:3) 13C2 [+NH4] 0.9450 0.8716 1.2202
TAG(48:4) 13C0 [+K] NA 1.0000 NA
TAG(48:4) 13C0 [+Na] NA 0.7760 1.4480
TAG(48:4) 13C0 [+NH4] 0.6539 1.0010 1.1284
TAG(48:4) 13C1 [+Na] NA 0.8055 1.1945
TAG(48:4) 13C1 [+NH4] 0.6070 0.9881 1.1739
TAG(48:4) 13C2 [+NH4] NA 0.8012 1.1988
TAG(48:5) 13C0 [+NH4] NA NA 1.0000
TAG(48:5) 13C1 [+NH4] NA NA 1.0000
TAG(49:0) 13C0 [+NH4] 0.7812 1.0880 1.0518
TAG(49:0) 13C1 [+NH4] 0.9363 1.0766 0.9138
TAG(49:1) 13C0 [+Na] NA 1.0464 0.9768
TAG(49:1) 13C0 [+NH4] 0.6973 0.8348 1.6194
TAG(49:1) 13C1 [+Na] NA NA 1.0000
TAG(49:1) 13C1 [+NH4] 0.6772 0.9295 1.3105
TAG(49:1) 13C2 [+NH4] NA 1.1535 0.9488
TAG(49:2) 13C0 [+Na] NA 1.2703 0.7297
TAG(49:2) 13C0 [+NH4] 0.8092 0.8982 1.1463
TAG(49:2) 13C1 [+NH4] 0.8110 0.8788 1.1551
TAG(49:2) 13C2 [+NH4] NA 1.0836 0.9582
TAG(49:3) 13C0 [+NH4] 1.2652 0.6656 0.8962
TAG(49:3) 13C1 [+NH4] NA NA 1.0000
TAG(50:0) 13C0 [+K] NA 1.0000 NA
TAG(50:0) 13C0 [+Na] 0.6994 0.9539 1.2540
TAG(50:0) 13C0 [+NH4] 0.6098 1.0121 1.4256
TAG(50:0) 13C1 [+Na] NA 0.6954 1.3046
TAG(50:0) 13C1 [+NH4] 0.5786 0.9860 1.6148
TAG(50:0) 13C2 [+NH4] 0.8282 0.8943 1.2621
TAG(50:1) 13C0 [+K] 0.9143 1.1296 0.8458
TAG(50:1) 13C0 [+Na] 0.6233 0.9733 1.6000
TAG(50:1) 13C0 [+NH4] 0.6030 1.0947 1.3128
TAG(50:1) 13C1 [+K] 1.2263 1.1445 0.6701
TAG(50:1) 13C1 [+Na] 0.6889 0.9512 1.4534
TAG(50:1) 13C1 [+NH4] 0.5857 1.0582 1.4429
TAG(50:1) 13C2 [+K] 1.5428 NA 0.4572
TAG(50:1) 13C2 [+Na] 0.5686 1.1314 1.0468
TAG(50:1) 13C2 [+NH4] 0.6480 0.9329 1.5648
TAG(50:1) 13C3 [+NH4] 0.7080 1.1386 1.0059
TAG(50:2) 13C0 [+K] 1.0577 0.9925 0.9646
TAG(50:2) 13C0 [+Na] 0.7287 0.9153 1.5032
TAG(50:2) 13C0 [+NH4] 0.6817 0.9777 1.4040
TAG(50:2) 13C1 [+K] 1.0616 1.0573 0.8606
TAG(50:2) 13C1 [+Na] 0.7003 0.9074 1.6275
TAG(50:2) 13C1 [+NH4] 0.6833 0.9763 1.4043
TAG(50:2) 13C2 [+K] 1.6293 NA 0.3707
TAG(50:2) 13C2 [+Na] 0.6946 0.9872 1.2337
TAG(50:2) 13C2 [+NH4] 0.6881 0.8659 1.7243
TAG(50:2) 13C3 [+NH4] 0.5328 1.1428 1.1622
TAG(50:3) 13C0 [+K] 0.9933 1.0195 0.9750
TAG(50:3) 13C0 [+Na] 0.7857 0.8261 1.6316
TAG(50:3) 13C0 [+NH4] 0.7651 0.8684 1.4779
TAG(50:3) 13C1 [+K] 1.1718 0.9680 0.8921
TAG(50:3) 13C1 [+Na] 0.7979 0.8385 1.5096
TAG(50:3) 13C1 [+NH4] 0.7752 0.8227 1.5903
TAG(50:3) 13C2 [+K] 1.0000 NA NA
TAG(50:3) 13C2 [+Na] 0.7591 NA 1.0803
TAG(50:3) 13C2 [+NH4] 0.7414 0.7476 1.6820
TAG(50:4) 13C0 [+K] 1.0347 0.9271 1.0853
TAG(50:4) 13C0 [+Na] 0.7418 0.8583 1.3529
TAG(50:4) 13C0 [+NH4] 0.7543 0.7686 1.8089
TAG(50:4) 13C1 [+K] 1.1933 0.9838 0.9196
TAG(50:4) 13C1 [+Na] 0.7691 0.7143 1.3444
TAG(50:4) 13C1 [+NH4] 0.8283 0.7658 1.5669
TAG(50:4) 13C2 [+NH4] NA 0.6958 1.3042
TAG(50:5) 13C0 [+Na] NA NA 1.0000
TAG(50:5) 13C0 [+NH4] 0.7594 0.7455 1.4715
TAG(50:5) 13C1 [+NH4] 0.6971 0.8435 1.3584
TAG(50:6) 13C0 [+NH4] NA 1.2960 0.8520
TAG(50:6) 13C1 [+NH4] NA NA 1.0000
TAG(51:0) 13C0 [+NH4] 0.8171 1.1038 1.0334
TAG(51:0) 13C1 [+NH4] NA 1.0530 0.8409
TAG(51:1) 13C0 [+Na] NA 1.0549 0.9451
TAG(51:1) 13C0 [+NH4] 0.6159 0.8404 1.6767
TAG(51:1) 13C1 [+NH4] 0.6636 0.8433 1.4056
TAG(51:1) 13C2 [+NH4] NA 0.7388 1.0871
TAG(51:2) 13C0 [+K] 1.0000 NA NA
TAG(51:2) 13C0 [+Na] 0.5293 1.1107 1.1985
TAG(51:2) 13C0 [+NH4] 0.6175 0.8366 1.9096
TAG(51:2) 13C1 [+Na] NA 1.0000 NA
TAG(51:2) 13C1 [+NH4] 0.6784 0.7931 1.7194
TAG(51:2) 13C2 [+NH4] 0.6806 1.3193 1.0456
TAG(51:3) 13C0 [+Na] 0.5962 0.8731 1.1327
TAG(51:3) 13C0 [+NH4] 0.7302 0.7762 1.7415
TAG(51:3) 13C1 [+NH4] 0.7838 0.7371 1.5346
TAG(51:3) 13C2 [+NH4] NA NA 1.0000
TAG(51:4) 13C0 [+NH4] 0.6447 0.8706 1.3648
TAG(51:4) 13C1 [+NH4] 0.8289 0.6860 1.2568
TAG(52:0) 13C0 [+Na] NA 0.1698 1.4151
TAG(52:0) 13C0 [+NH4] 0.4550 0.6812 2.3289
TAG(52:0) 13C1 [+Na] NA NA 1.0000
TAG(52:0) 13C1 [+NH4] 0.5106 0.6258 1.8898
TAG(52:0) 13C2 [+NH4] NA NA 1.0000
TAG(52:1) 13C0 [+K] 0.8432 1.2372 0.7093
TAG(52:1) 13C0 [+Na] 0.5573 0.9826 1.5484
TAG(52:1) 13C0 [+NH4] 0.5438 1.0501 1.4508
TAG(52:1) 13C1 [+K] 1.0783 1.2297 0.3867
TAG(52:1) 13C1 [+Na] 0.5802 1.0053 1.3285
TAG(52:1) 13C1 [+NH4] 0.5394 0.9733 1.6851
TAG(52:1) 13C2 [+Na] NA 1.0340 0.9319
TAG(52:1) 13C2 [+NH4] 0.5693 0.9288 1.5671
TAG(52:1) 13C3 [+NH4] NA 0.9067 1.0933
TAG(52:12) 13C0 [+K] 0.5000 1.2981 1.3012
TAG(52:2) 13C0 [+K] 0.8492 1.1692 0.8533
TAG(52:2) 13C0 [+Na] 0.6746 1.0043 1.3727
TAG(52:2) 13C0 [+NH4] 0.6166 1.0180 1.4006
TAG(52:2) 13C1 [+K] 0.8446 1.0777 1.0070
TAG(52:2) 13C1 [+Na] 0.6854 0.9715 1.4211
TAG(52:2) 13C1 [+NH4] 0.6142 1.0083 1.4346
TAG(52:2) 13C2 [+K] 0.9005 1.1154 0.8687
TAG(52:2) 13C2 [+Na] 0.6608 0.9004 1.6244
TAG(52:2) 13C2 [+NH4] 0.6258 0.9853 1.4604
TAG(52:2) 13C3 [+K] 1.0000 NA NA
TAG(52:2) 13C3 [+NH4] 0.6637 0.8563 1.6495
TAG(52:3) 13C0 [+K] 0.8295 1.1215 0.9736
TAG(52:3) 13C0 [+Na] 0.7287 0.9621 1.3522
TAG(52:3) 13C0 [+NH4] 0.6347 0.9502 1.5015
TAG(52:3) 13C1 [+K] 0.8909 1.0917 0.9361
TAG(52:3) 13C1 [+Na] 0.7031 0.9365 1.4769
TAG(52:3) 13C1 [+NH4] 0.6404 0.9529 1.4907
TAG(52:3) 13C2 [+K] 1.0533 0.9893 0.9810
TAG(52:3) 13C2 [+Na] 0.7009 0.8718 1.7324
TAG(52:3) 13C2 [+NH4] 0.6760 0.9160 1.5009
TAG(52:3) 13C3 [+K] 1.0000 NA NA
TAG(52:3) 13C3 [+Na] NA NA 1.0000
TAG(52:3) 13C3 [+NH4] 0.3604 0.7076 1.8163
TAG(52:4) 13C0 [+K] 0.8630 1.1942 0.8158
TAG(52:4) 13C0 [+Na] 0.6968 0.9979 1.3619
TAG(52:4) 13C0 [+NH4] 0.6221 1.0268 1.3966
TAG(52:4) 13C1 [+K] 0.8822 1.0626 0.9649
TAG(52:4) 13C1 [+Na] 0.7525 0.9759 1.2870
TAG(52:4) 13C1 [+NH4] 0.6266 1.0273 1.3905
TAG(52:4) 13C2 [+K] 1.1226 1.1650 0.3823
TAG(52:4) 13C2 [+Na] 0.6525 1.0629 1.2496
TAG(52:4) 13C2 [+NH4] 0.6182 1.0082 1.5024
TAG(52:5) 13C0 [+K] 0.8549 1.2693 0.7390
TAG(52:5) 13C0 [+Na] 0.6707 0.9915 1.4374
TAG(52:5) 13C0 [+NH4] 0.6938 0.9485 1.4027
TAG(52:5) 13C1 [+K] 1.4872 1.1790 0.4879
TAG(52:5) 13C1 [+Na] 0.6841 0.9987 1.2601
TAG(52:5) 13C1 [+NH4] 0.6638 0.8818 1.7121
TAG(52:6) 13C0 [+Na] 0.7179 0.5461 1.1840
TAG(52:6) 13C0 [+NH4] 0.6843 0.8896 1.4195
TAG(52:6) 13C1 [+Na] NA NA 1.0000
TAG(52:6) 13C1 [+NH4] 0.5654 0.9463 1.4416
TAG(52:7) 13C0 [+NH4] NA NA 1.0000
TAG(52:7) 13C1 [+NH4] NA NA 1.0000
TAG(53:0) 13C0 [+NH4] NA 0.8624 1.2064
TAG(53:0) 13C1 [+NH4] NA NA 1.0000
TAG(53:1) 13C0 [+NH4] 0.6285 0.8295 1.3540
TAG(53:1) 13C1 [+NH4] NA 0.9600 1.0160
TAG(53:2) 13C0 [+Na] NA 0.6348 1.1826
TAG(53:2) 13C0 [+NH4] 0.5451 0.8457 1.9371
TAG(53:2) 13C1 [+NH4] 0.5858 0.7999 1.5945
TAG(53:2) 13C2 [+NH4] NA 0.9032 1.0484
TAG(53:3) 13C0 [+Na] 0.5109 0.7706 1.2395
TAG(53:3) 13C0 [+NH4] 0.5847 0.8052 1.9563
TAG(53:3) 13C1 [+NH4] 0.6242 0.7777 1.6770
TAG(53:3) 13C2 [+NH4] 0.3486 0.8329 1.2464
TAG(53:4) 13C0 [+Na] NA NA 1.0000
TAG(53:4) 13C0 [+NH4] 0.5804 0.8278 1.6095
TAG(53:4) 13C1 [+NH4] 0.5347 0.8548 1.5667
TAG(53:4) 13C2 [+NH4] NA NA 1.0000
TAG(53:5) 13C0 [+NH4] 0.6355 1.5781 0.9466
TAG(53:5) 13C1 [+NH4] NA 1.3759 0.9060
TAG(54:0) 13C0 [+Na] NA NA 1.0000
TAG(54:0) 13C0 [+NH4] 0.3685 0.2264 2.5551
TAG(54:0) 13C1 [+NH4] 0.2838 0.1251 2.3524
TAG(54:1) 13C0 [+K] NA 1.0000 NA
TAG(54:1) 13C0 [+Na] NA 0.4728 1.2109
TAG(54:1) 13C0 [+NH4] 0.5111 0.8839 1.7727
TAG(54:1) 13C1 [+Na] NA NA 1.0000
TAG(54:1) 13C1 [+NH4] 0.5352 0.8644 1.6085
TAG(54:1) 13C2 [+NH4] 0.3323 0.7499 1.4170
TAG(54:2) 13C0 [+K] 1.2680 1.0368 0.8124
TAG(54:2) 13C0 [+Na] 0.4754 0.9659 1.5472
TAG(54:2) 13C0 [+NH4] 0.4719 1.0338 1.5856
TAG(54:2) 13C1 [+K] 0.9819 1.1762 0.3132
TAG(54:2) 13C1 [+Na] 0.5231 0.9839 1.3240
TAG(54:2) 13C1 [+NH4] 0.4578 0.9653 1.8584
TAG(54:2) 13C2 [+Na] NA 0.4364 1.2818
TAG(54:2) 13C2 [+NH4] 0.4940 0.9178 1.7094
TAG(54:2) 13C3 [+NH4] NA 0.6344 1.4875
TAG(54:3) 13C0 [+K] 0.7391 1.1141 1.0037
TAG(54:3) 13C0 [+Na] 0.5331 1.0074 1.5461
TAG(54:3) 13C0 [+NH4] 0.4822 1.0693 1.4926
TAG(54:3) 13C1 [+K] 0.8518 1.0544 0.9674
TAG(54:3) 13C1 [+Na] 0.4921 0.9962 1.7873
TAG(54:3) 13C1 [+NH4] 0.4837 1.0684 1.4922
TAG(54:3) 13C2 [+K] 1.3063 1.0859 0.4359
TAG(54:3) 13C2 [+Na] 0.5522 0.9640 1.2933
TAG(54:3) 13C2 [+NH4] 0.4955 0.9417 1.7990
TAG(54:3) 13C3 [+NH4] 0.5284 0.9061 1.4500
TAG(54:4) 13C0 [+K] 0.6372 1.2006 0.9501
TAG(54:4) 13C0 [+Na] 0.5162 1.0543 1.4777
TAG(54:4) 13C0 [+NH4] 0.4711 1.0903 1.4726
TAG(54:4) 13C1 [+K] 0.7567 1.1249 0.8985
TAG(54:4) 13C1 [+Na] 0.5125 0.9828 1.7091
TAG(54:4) 13C1 [+NH4] 0.4724 1.0912 1.4698
TAG(54:4) 13C2 [+K] 1.1567 1.0821 0.3508
TAG(54:4) 13C2 [+Na] 0.5255 1.0054 1.2515
TAG(54:4) 13C2 [+NH4] 0.5024 0.9507 1.7427
TAG(54:4) 13C3 [+NH4] 0.1831 1.2050 0.9990
TAG(54:5) 13C0 [+K] 0.5807 1.2758 0.8046
TAG(54:5) 13C0 [+Na] 0.5226 1.1203 1.2824
TAG(54:5) 13C0 [+NH4] 0.4352 1.2204 1.3112
TAG(54:5) 13C1 [+K] 0.7479 1.2469 0.6631
TAG(54:5) 13C1 [+Na] 0.4895 1.0667 1.5675
TAG(54:5) 13C1 [+NH4] 0.4429 1.2062 1.3022
TAG(54:5) 13C2 [+K] 0.5725 1.6103 0.2069
TAG(54:5) 13C2 [+Na] 0.4750 1.2823 0.9197
TAG(54:5) 13C2 [+NH4] 0.4744 1.0443 1.5566
TAG(54:5) 13C3 [+Na] NA 1.0000 NA
TAG(54:6) 13C0 [+K] 0.4515 1.5124 0.4351
TAG(54:6) 13C0 [+Na] 0.3622 1.3925 1.0805
TAG(54:6) 13C0 [+NH4] 0.3494 1.4807 0.9528
TAG(54:6) 13C1 [+K] 0.4616 1.4436 0.3819
TAG(54:6) 13C1 [+Na] 0.3619 1.4877 0.8395
TAG(54:6) 13C1 [+NH4] 0.3757 1.4127 0.9536
TAG(54:6) 13C2 [+K] NA 1.0000 NA
TAG(54:6) 13C2 [+Na] 0.2389 1.6764 0.5139
TAG(54:6) 13C2 [+NH4] 0.2963 1.5417 0.6451
TAG(54:6) 13C3 [+Na] NA 1.0000 NA
TAG(54:7) 13C0 [+K] 0.1783 1.4108 NA
TAG(54:7) 13C0 [+Na] 0.2151 1.5624 0.6835
TAG(54:7) 13C0 [+NH4] 0.3125 1.4232 1.0262
TAG(54:7) 13C1 [+K] NA 1.0000 NA
TAG(54:7) 13C1 [+Na] 0.1723 2.2113 0.5054
TAG(54:7) 13C1 [+NH4] 0.3253 1.4088 0.8247
TAG(54:7) 13C2 [+NH4] NA 1.0000 NA
TAG(54:8) 13C0 [+K] NA 1.0000 NA
TAG(54:8) 13C0 [+Na] NA 1.0000 NA
TAG(54:8) 13C0 [+NH4] 0.1762 1.8569 0.4793
TAG(54:8) 13C1 [+Na] NA 1.0000 NA
TAG(54:8) 13C1 [+NH4] NA 1.5622 0.4378
TAG(54:9) 13C0 [+NH4] NA 1.0000 NA
TAG(54:9) 13C1 [+NH4] NA 1.0000 NA
TAG(55:0) 13C0 [+NH4] NA 0.9841 1.0477
TAG(55:0) 13C1 [+NH4] NA 1.0000 NA
TAG(55:2) 13C0 [+NH4] NA 0.9589 1.0246
TAG(55:2) 13C1 [+NH4] NA 0.8058 1.1295
TAG(55:3) 13C0 [+NH4] 0.4035 0.8945 1.3612
TAG(55:3) 13C1 [+NH4] NA 0.9290 1.0426
TAG(55:4) 13C0 [+NH4] 0.3975 0.8716 1.3951
TAG(55:4) 13C1 [+NH4] NA 1.3291 0.8684
TAG(55:5) 13C0 [+NH4] NA 1.4741 0.7630
TAG(55:5) 13C1 [+NH4] NA 1.2989 0.8008
TAG(55:6) 13C0 [+NH4] NA 1.6345 0.3655
TAG(55:6) 13C1 [+NH4] NA 1.6133 0.3867
TAG(56:0) 13C0 [+NH4] NA 0.7037 1.4445
TAG(56:0) 13C1 [+NH4] NA 1.0000 NA
TAG(56:10) 13C0 [+NH4] NA NA 1.0000
TAG(56:1) 13C0 [+Na] NA NA 1.0000
TAG(56:1) 13C0 [+NH4] 0.8912 0.9252 1.1019
TAG(56:1) 13C1 [+NH4] NA 1.3598 0.9280
TAG(56:2) 13C0 [+Na] NA NA 1.0000
TAG(56:2) 13C0 [+NH4] 0.5470 0.8959 1.4680
TAG(56:2) 13C1 [+Na] NA NA 1.0000
TAG(56:2) 13C1 [+NH4] 0.5007 0.9661 1.3151
TAG(56:2) 13C2 [+NH4] NA 1.1481 0.9112
TAG(56:3) 13C0 [+Na] NA 0.6058 1.3942
TAG(56:3) 13C0 [+NH4] 0.5361 0.8304 1.8069
TAG(56:3) 13C1 [+Na] NA NA 1.0000
TAG(56:3) 13C1 [+NH4] 0.5379 0.9013 1.4377
TAG(56:3) 13C2 [+NH4] NA 0.9688 1.0250
TAG(56:4) 13C0 [+Na] NA 1.1637 0.8363
TAG(56:4) 13C0 [+NH4] 0.5421 0.8853 1.6777
TAG(56:4) 13C1 [+Na] NA NA 1.0000
TAG(56:4) 13C1 [+NH4] 0.5356 1.0115 1.2819
TAG(56:4) 13C2 [+NH4] NA 1.1371 0.9086
TAG(56:5) 13C0 [+K] 0.6803 1.5092 0.3013
TAG(56:5) 13C0 [+Na] 0.6361 0.9609 1.2527
TAG(56:5) 13C0 [+NH4] 0.6069 0.9432 1.6965
TAG(56:5) 13C1 [+Na] 0.4233 1.0242 1.5405
TAG(56:5) 13C1 [+NH4] 0.5955 0.9344 1.7063
TAG(56:5) 13C2 [+NH4] 0.4915 1.5504 1.1274
TAG(56:6) 13C0 [+K] 0.6733 1.4002 0.6897
TAG(56:6) 13C0 [+Na] 0.6896 0.8886 1.3932
TAG(56:6) 13C0 [+NH4] 0.7057 0.8871 1.5321
TAG(56:6) 13C1 [+K] 1.5420 0.7527 0.7054
TAG(56:6) 13C1 [+Na] 0.6981 0.8693 1.4761
TAG(56:6) 13C1 [+NH4] 0.6609 0.8637 1.7646
TAG(56:6) 13C2 [+Na] NA NA 1.0000
TAG(56:6) 13C2 [+NH4] 0.6398 0.8330 1.5029
TAG(56:6) 13C3 [+NH4] NA NA 1.0000
TAG(56:7) 13C0 [+K] 0.5562 1.3559 0.4642
TAG(56:7) 13C0 [+Na] 0.7700 0.8183 1.3790
TAG(56:7) 13C0 [+NH4] 0.6983 0.8242 1.6419
TAG(56:7) 13C1 [+K] NA 1.2495 0.7505
TAG(56:7) 13C1 [+Na] 0.7631 0.7229 1.5775
TAG(56:7) 13C1 [+NH4] 0.6712 0.8087 1.7730
TAG(56:7) 13C2 [+Na] NA NA 1.0000
TAG(56:7) 13C2 [+NH4] 0.6302 0.8264 1.3601
TAG(56:7) 13C3 [+NH4] NA NA 1.0000
TAG(56:8) 13C0 [+K] NA 1.0000 NA
TAG(56:8) 13C0 [+Na] 0.5830 0.7125 1.8962
TAG(56:8) 13C0 [+NH4] 0.6543 0.8106 1.7716
TAG(56:8) 13C1 [+Na] 0.6284 0.6533 1.3591
TAG(56:8) 13C1 [+NH4] 0.6771 0.7688 1.6836
TAG(56:8) 13C2 [+NH4] 0.6619 0.6546 1.8562
TAG(56:9) 13C0 [+Na] NA NA 1.0000
TAG(56:9) 13C0 [+NH4] 0.5720 0.6027 1.6190
TAG(56:9) 13C1 [+NH4] 0.3438 0.3431 1.6565
TAG(57:0) 13C0 [+NH4] NA 1.0000 NA
TAG(57:2) 13C0 [+NH4] NA 1.0859 0.9570
TAG(57:2) 13C1 [+NH4] NA 1.0000 NA
TAG(57:3) 13C0 [+NH4] NA 1.1564 0.9479
TAG(57:3) 13C1 [+NH4] NA 1.1087 0.8913
TAG(57:4) 13C0 [+NH4] NA 1.1362 0.7276
TAG(57:7) 13C0 [+NH4] NA NA 1.0000
TAG(58:10) 13C0 [+NH4] 0.4211 0.8236 1.6211
TAG(58:10) 13C1 [+NH4] NA 0.5909 1.8182
TAG(58:11) 13C0 [+NH4] NA 0.6053 1.3947
TAG(58:11) 13C1 [+NH4] NA NA 1.0000
TAG(58:1) 13C0 [+NH4] NA NA 1.0000
TAG(58:1) 13C1 [+NH4] NA NA 1.0000
TAG(58:2) 13C0 [+Na] NA NA 1.0000
TAG(58:2) 13C0 [+NH4] 0.6384 0.9244 1.1836
TAG(58:2) 13C1 [+Na] NA NA 1.0000
TAG(58:2) 13C1 [+NH4] 0.7317 1.0488 1.0244
TAG(58:2) 13C2 [+NH4] NA NA 1.0000
TAG(58:2) 13C3 [+NH4] NA 1.0000 NA
TAG(58:3) 13C0 [+Na] NA NA 1.0000
TAG(58:3) 13C0 [+NH4] 0.4278 1.0675 1.2691
TAG(58:3) 13C1 [+Na] NA NA 1.0000
TAG(58:3) 13C1 [+NH4] 0.3463 0.9795 1.1261
TAG(58:3) 13C2 [+NH4] NA NA 1.0000
TAG(58:4) 13C0 [+NH4] NA 1.0639 0.9361
TAG(58:4) 13C1 [+NH4] NA 1.1713 0.8629
TAG(58:5) 13C0 [+NH4] NA 0.9836 1.0164
TAG(58:5) 13C1 [+NH4] NA 1.1865 0.8135
TAG(58:6) 13C0 [+NH4] 0.4028 1.0155 1.1861
TAG(58:6) 13C1 [+NH4] NA 0.8703 1.0865
TAG(58:7) 13C0 [+Na] NA NA 1.0000
TAG(58:7) 13C0 [+NH4] 0.5533 0.8378 1.3450
TAG(58:7) 13C1 [+NH4] 0.5388 0.7397 1.4909
TAG(58:7) 13C2 [+NH4] NA NA 1.0000
TAG(58:8) 13C0 [+Na] NA NA 1.0000
TAG(58:8) 13C0 [+NH4] 0.5709 0.7874 1.5605
TAG(58:8) 13C1 [+Na] NA NA 1.0000
TAG(58:8) 13C1 [+NH4] 0.4858 0.6904 1.9786
TAG(58:8) 13C2 [+NH4] NA NA 1.0000
TAG(58:9) 13C0 [+Na] NA NA 1.0000
TAG(58:9) 13C0 [+NH4] 0.4770 0.7118 1.8832
TAG(58:9) 13C1 [+NH4] 0.6316 0.6172 1.6627
TAG(58:9) 13C2 [+NH4] NA NA 1.0000
TAG(60:10) 13C0 [+NH4] NA NA 1.0000
TAG(60:11) 13C0 [+NH4] NA NA 1.0000
TAG(60:1) 13C0 [+NH4] NA NA 1.0000
TAG(60:2) 13C0 [+Na] NA NA 1.0000
TAG(60:2) 13C0 [+NH4] NA NA 1.0000
TAG(60:2) 13C1 [+NH4] NA NA 1.0000
TAG(60:2) 13C2 [+NH4] NA NA 1.0000
TAG(60:3) 13C0 [+NH4] NA 1.1349 0.8651
TAG(60:3) 13C1 [+NH4] NA NA 1.0000
TAG(60:4) 13C0 [+NH4] NA 1.4776 0.5224
TAG(60:4) 13C1 [+NH4] NA 1.0000 NA
TAG(60:5) 13C0 [+NH4] NA 1.0000 NA
TAG(60:6) 13C0 [+NH4] NA NA 1.0000
TAG(60:7) 13C0 [+NH4] NA NA 1.0000
TAG(61:0) 13C0 [+Na] NA 1.1163 0.7674
TAG(61:16) 13C0 [+NH4] 1.0000 NA NA
TAG(61:16) 13C1 [+NH4] 1.0000 NA NA
TAG(63:16) 13C0 [+NH4] 1.0000 NA NA
TAG(64:7) 13C0 [+NH4] 1.0000 NA NA
TAG(64:7) 13C1 [+NH4] 1.0000 NA NA
TAG(65:0) 13C0 [+Na] 1.4691 0.8228 0.7081
TAG(65:18) 13C0 [+H] 1.0000 NA NA
TAG(65:2) 13C0 [+NH4] NA NA 1.0000
TAG(65:3) 13C0 [+NH4] NA NA 1.0000
TH-12-keto-LTB4 13C0 [+Na] 0.7215 1.0696 NA
TH-12-keto-LTB4 13C0 [+NH4] 0.8467 1.1048 1.0036
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Factors:

F1Cancer Stage:Early
F2Cancer Stage:Late
F3Cancer Stage:Normal
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