Data for Validating Quantitative Untargeted Lipidomics Across Nine Liquid Chromatography−High-Resolution Mass Spectrometry Platforms (Part I) (Study ST000983)

(Analysis AN001609)

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

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MetaboliteF1F2F3F4F5F6F7F8F9
1_CE (22:1) [2M+Na]+ ISTD 1.0079 1.0031 0.9936 0.9906 0.9959 0.9866 0.9983 1.0058 1.0396
1_CE (22:1) [2M+NH4]+ ISTD NA NA NA NA NA NA NA NA NA
1_CE (22:1) [Chol-head -H2O+H]+ ISTD 0.9900 0.9996 0.9915 0.9760 0.9944 0.9754 0.9350 1.0259 1.1274
1_CE (22:1) [M+Chol-head -H2O+H]+ ISTD 0.9720 0.9972 0.9760 0.9665 0.9976 0.9790 0.9200 1.0438 1.1807
1_CE (22:1) [M+Na]+ ISTD 1.0177 1.0162 1.0089 1.0016 1.0066 0.9928 0.9892 0.9997 0.9129
1_CE (22:1) [M+NH4]+ ISTD 0.9832 0.9866 0.9618 0.9715 0.9870 0.9557 0.9174 1.0353 1.2856
1_Cer (d18:1/17:0) [M+H-H2O]+ ISTD 0.9804 1.0018 1.0020 0.9810 1.0112 0.9912 0.9403 1.0512 NA
1_Cer (d18:1/17:0) [M+H]+ ISTD 0.9732 1.0032 0.9987 0.9801 1.0133 0.9968 0.9713 1.0496 NA
1_Cer (d18:1/17:0) [M+Na]+ ISTD 0.9458 0.9638 0.9587 0.9389 0.9621 0.9576 0.9504 0.9808 1.6148
1_Cholesterol d7 [M-H2O+H]+ ISTD 0.9909 1.0009 0.9866 0.9866 0.9861 0.9825 1.0612 1.0015 1.1241
1_CUDA [M+H]+ ISTD 0.9879 1.0022 0.9960 0.9919 1.0178 1.0033 0.9974 1.0165 0.9767
1_DG (12:0/12:0/0:0) [M+K]+ ISTD 0.9748 0.9756 0.9627 0.9577 0.9634 0.9753 0.9817 0.9935 1.4134
1_DG (12:0/12:0/0:0) [M+Na]+ ISTD 0.9868 1.0001 0.9982 0.9786 1.0030 0.9920 0.9615 1.0281 1.0512
1_DG (12:0/12:0/0:0) [M+NH4]+ ISTD 0.9692 0.9891 0.9973 0.9642 1.0045 0.9707 0.9436 1.0514 1.1539
1_DG (18:1/2:0/0:0) [M+K]+ ISTD 0.9359 0.9470 0.9414 0.9489 0.9654 0.9412 0.9221 1.0749 1.5690
1_DG (18:1/2:0/0:0) [M+Na]+ ISTD 0.9834 0.9870 0.9920 0.9846 0.9996 0.9848 0.9445 1.0559 1.0676
1_DG (18:1/2:0/0:0) [M+NH4]+ ISTD 0.9764 0.9849 0.9971 0.9875 0.9902 0.9732 0.9225 1.0543 1.1213
1_LPC (17:0) [M+H]+ ISTD 0.9894 1.0098 1.0051 0.9820 1.0060 0.9957 0.9545 1.0419 0.9685
1_LPE (17:1) [M+H]+ ISTD 0.9898 1.0010 1.0031 0.9804 1.0048 0.9888 0.9398 1.0440 1.0119
1_MG (17:0/0:0/0:0) [M+H]+ ISTD 0.9778 0.9913 0.9962 0.9650 1.0053 0.9582 0.9438 1.0531 1.1556
1_MG (17:0/0:0/0:0) [M+Na]+ ISTD 0.9817 1.0097 1.0067 0.9831 1.0096 0.9807 0.9473 1.0186 1.0431
1_PC (12:0/13:0) [M+H]+ ISTD 0.9665 0.9892 0.9991 0.9848 1.0025 0.9929 0.9614 1.0474 1.0688
1_PE (17:0/17:0) [M+H]+ ISTD 0.9753 1.0004 0.9934 0.9761 1.0107 0.9906 0.9524 1.0324 1.0709
1_SM (d18:1/17:0) [M+H]+ ISTD 1.0073 1.0218 1.0394 1.0117 1.0362 1.0167 0.9082 1.0452 0.6698
1_Sphingosine (d17:1) [M+H]+ ISTD 0.9837 1.0042 1.0058 0.9862 1.0038 0.9785 0.9627 1.0640 0.9868
1_TG d5 (17:0/17:1/17:0) ISTD [M+K]+ NA NA NA NA NA NA NA NA NA
1_TG d5 (17:0/17:1/17:0) ISTD [M+Na]+ 1.0494 1.0571 0.9988 0.9233 1.0413 0.9842 1.0186 0.9386 0.9935
1_TG d5 (17:0/17:1/17:0) ISTD [M+NH4]+ 0.9376 0.9554 1.0294 0.9838 0.9805 0.9530 0.8062 1.0695 1.2699
Acylcarnitine (C10:0) [M+H]+ 1.4501 1.4045 0.8150 0.6532 1.0508 0.9769 0.4957 0.7072 0.8612
Acylcarnitine (C10:1) [M+H]+ 1.1296 1.1347 0.7135 0.8949 1.1740 1.2437 0.9345 0.7775 0.7336
Acylcarnitine (C12:0) [M+H]+ NA NA NA NA NA NA NA NA NA
Acylcarnitine (C12:1) [M+H]+ NA NA NA NA NA NA NA NA NA
Acylcarnitine (C14:1) [M+H]+ NA NA NA NA NA NA NA NA NA
Acylcarnitine (C14:2) [M+H]+ NA NA NA NA NA NA NA NA NA
Acylcarnitine (C18:0) [M+H]+ NA NA NA NA NA NA NA NA NA
Acylcarnitine (C18:1) [M+H]+ 1.1705 1.2036 1.0005 0.8727 1.0598 0.9548 0.9586 0.9634 0.4809
Acylcarnitine (C18:2) [M+H]+ 1.0140 1.0239 0.9687 0.9814 1.0958 1.0711 1.1445 0.9526 0.7219
Acylcarnitine (C18:3) [M+H]+ NA NA NA NA NA NA NA NA NA
Acylcarnitine (C8:0) [M+H]+ 0.8405 0.8650 1.0565 0.9133 1.2025 0.8102 0.8251 1.1455 1.5418
Acylcarnitine (C8:1) [M+H]+ NA NA NA NA NA NA NA NA NA
CE (14:0) [2M+Na]+ NA NA NA NA NA NA NA NA NA
CE (14:0) [2M+NH4]+ NA NA NA NA NA NA NA NA NA
CE (14:0) [Chol-head -H2O+H]+ NA NA NA NA NA NA NA NA NA
CE (14:0) [M+Chol-head -H2O+H]+ NA NA NA NA NA NA NA NA NA
CE (14:0) [M+Na]+ NA NA NA NA NA NA NA NA NA
CE (14:0) [M+NH4]+ NA NA NA NA NA NA NA NA NA
CE (16:0) [2M+Na]+ 1.1067 1.1268 0.9316 0.9257 0.9895 1.0166 1.1648 0.9546 0.8322
CE (16:0) [2M+NH4]+ NA NA NA NA NA NA NA NA NA
CE (16:0) [Chol-head -H2O+H]+ 1.0569 1.0233 0.9919 0.9361 1.0103 0.9758 0.8251 1.0569 0.9683
CE (16:0) [M+Chol-head -H2O+H]+ NA NA NA NA NA NA NA NA NA
CE (16:0) [M+Na]+ 1.0854 1.0844 0.9427 0.9515 0.9846 1.0142 1.1370 0.9700 0.8850
CE (16:0) [M+NH4]+ NA NA NA NA NA NA NA NA NA
CE (16:1) [2M+Na]+ 1.0841 1.1577 0.9088 0.9030 0.9731 0.9751 1.7612 0.8981 NA
CE (16:1) [2M+NH4]+ NA NA NA NA NA NA NA NA NA
CE (16:1) [Chol-head -H2O+H]+ 0.0843 0.1032 0.1240 0.1145 0.1409 0.1458 0.0867 1.8508 5.4504
CE (16:1) [M+Chol-head -H2O+H]+ NA NA NA NA NA NA NA NA NA
CE (16:1) [M+Na]+ 1.0524 1.1122 0.9242 0.9073 0.9695 0.9538 1.4268 1.0580 NA
CE (16:1) [M+NH4]+ 0.9682 1.0184 0.9588 0.9974 0.9925 0.9810 1.1845 1.0515 1.0542
CE (18:0) [2M+Na]+ 1.0728 0.9891 1.1362 0.9063 1.1086 0.9312 0.5844 1.0482 0.7522
CE (18:0) [2M+NH4]+ NA NA NA NA NA NA NA NA NA
CE (18:0) [Chol-head -H2O+H]+ 0.9842 0.9210 1.0909 0.9674 1.0384 0.9706 0.6359 1.1233 0.9587
CE (18:0) [M+Chol-head -H2O+H]+ NA NA NA NA NA NA NA NA NA
CE (18:0) [M+Na]+ 1.0486 0.9889 1.0917 0.9225 1.0896 0.9628 0.6946 1.0419 0.8112
CE (18:0) [M+NH4]+ NA NA NA NA NA NA NA NA NA
CE (18:1) [2M+Na]+ 1.1665 1.1274 0.9347 0.9132 0.9928 1.0067 1.0671 0.8871 0.8752
CE (18:1) [2M+NH4]+ NA NA NA NA NA NA NA NA NA
CE (18:1) [Chol-head -H2O+H]+ NA NA NA NA NA NA NA NA NA
CE (18:1) [M+Chol-head -H2O+H]+ 1.0717 1.0284 1.0421 0.9560 1.0851 1.0053 0.7472 0.9674 0.0914
CE (18:1) [M+Na]+ 1.1533 1.1451 0.9604 0.9538 1.0246 1.0250 1.1208 0.8998 0.5869
CE (18:1) [M+NH4]+ 1.0771 1.0314 0.9592 0.9163 0.9937 0.9571 0.8575 1.0238 1.1400
CE (18:2) [2M+Na]+ 1.1034 1.1321 0.8671 0.9669 1.0495 1.0018 1.0824 0.8800 0.9139
CE (18:2) [2M+NH4]+ NA NA NA NA NA NA NA NA NA
CE (18:2) [Chol-head -H2O+H]+ 1.0636 1.0478 0.9840 0.9601 1.0005 0.9912 0.9515 1.0177 0.8873
CE (18:2) [M+Chol-head -H2O+H]+ 1.1294 1.1075 1.0365 0.9939 1.0588 1.0407 0.9070 0.9387 0.0781
CE (18:2) [M+Na]+ 1.1695 1.1395 0.9499 0.9786 1.0015 1.0243 1.1278 0.8498 0.6596
CE (18:2) [M+NH4]+ 1.1195 1.0858 1.0016 0.9716 1.0121 1.0038 0.9923 0.9967 0.0129
CE (18:3) [2M+Na]+ NA NA NA NA NA NA NA NA NA
CE (18:3) [2M+NH4]+ NA NA NA NA NA NA NA NA NA
CE (18:3) [Chol-head -H2O+H]+ 0.9875 1.0198 0.9894 0.8664 0.9896 1.1635 0.9623 1.1651 0.7007
CE (18:3) [M+Chol-head -H2O+H]+ NA NA NA NA NA NA NA NA NA
CE (18:3) [M+Na]+ 1.4047 1.5150 0.7831 0.8419 0.8188 1.0775 1.2416 0.5856 0.0114
CE (18:3) [M+NH4]+ 0.9528 1.0313 0.9363 0.9600 0.9125 1.0585 0.8295 1.1568 1.0704
CE (20:2) [2M+Na]+ NA NA NA NA NA NA NA NA NA
CE (20:2) [2M+NH4]+ NA NA NA NA NA NA NA NA NA
CE (20:2) [Chol-head -H2O+H]+ NA NA NA NA NA NA NA NA NA
CE (20:2) [M+Chol-head -H2O+H]+ NA NA NA NA NA NA NA NA NA
CE (20:2) [M+Na]+ 1.0532 1.0820 0.9266 0.9752 1.0345 0.9975 1.1295 0.9606 0.8883
CE (20:2) [M+NH4]+ NA NA NA NA NA NA NA NA NA
CE (20:3) [2M+Na]+ NA NA NA NA NA NA NA NA NA
CE (20:3) [2M+NH4]+ NA NA NA NA NA NA NA NA NA
CE (20:3) [Chol-head -H2O+H]+ NA NA NA NA NA NA NA NA NA
CE (20:3) [M+Chol-head -H2O+H]+ NA NA NA NA NA NA NA NA NA
CE (20:3) [M+Na]+ 1.5388 1.4117 0.8170 0.8335 0.9090 0.9877 1.2000 0.5909 0.5726
CE (20:3) [M+NH4]+ 1.1495 1.0737 0.9361 0.9225 0.9595 0.9397 0.9289 0.9630 1.1245
CE (20:4) [2M+Na]+ 1.4244 1.4075 1.0988 0.6978 1.1441 0.6781 1.5759 0.6636 0.5648
CE (20:4) [2M+NH4]+ NA NA NA NA NA NA NA NA NA
CE (20:4) [Chol-head -H2O+H]+ 1.0832 1.0603 1.1371 0.9708 1.1542 1.0089 0.8242 1.0532 0.1131
CE (20:4) [M+Chol-head -H2O+H]+ NA NA NA NA NA NA NA NA NA
CE (20:4) [M+Na]+ 1.3895 1.3416 1.1010 0.7450 1.1692 0.7585 1.4998 0.7464 0.0390
CE (20:4) [M+NH4]+ 1.0445 1.0087 1.0598 0.8773 1.0721 0.9121 0.8021 1.1098 0.9553
CE (20:5) [2M+Na]+ NA NA NA NA NA NA NA NA NA
CE (20:5) [2M+NH4]+ NA NA NA NA NA NA NA NA NA
CE (20:5) [Chol-head -H2O+H]+ 0.9441 0.9711 1.0372 1.1029 1.0065 1.0947 0.5472 1.2782 0.1234
CE (20:5) [M+Chol-head -H2O+H]+ NA NA NA NA NA NA NA NA NA
CE (20:5) [M+Na]+ 1.4838 1.7049 0.9677 0.8218 0.9547 0.8260 0.7908 0.5830 0.0233
CE (20:5) [M+NH4]+ 0.8899 1.0203 0.9857 1.0672 0.9822 1.0591 0.4814 1.1596 0.0519
CE (22:2) [2M+Na]+ 1.0508 1.1170 0.9810 0.9083 1.0127 1.0213 1.2582 0.9325 0.8649
CE (22:2) [2M+NH4]+ NA NA NA NA NA NA NA NA NA
CE (22:2) [Chol-head -H2O+H]+ NA NA NA NA NA NA NA NA NA
CE (22:2) [M+Chol-head -H2O+H]+ NA NA NA NA NA NA NA NA NA
CE (22:2) [M+Na]+ 1.0553 1.0455 1.0338 0.9154 1.0567 0.9698 0.9954 1.0080 0.8488
CE (22:2) [M+NH4]+ NA NA NA NA NA NA NA NA NA
CE (22:6) [2M+Na]+ NA NA NA NA NA NA NA NA NA
CE (22:6) [2M+NH4]+ NA NA NA NA NA NA NA NA NA
CE (22:6) [Chol-head -H2O+H]+ 0.8137 0.8757 1.0609 0.9928 0.9443 1.0152 0.4840 1.2928 1.2403
CE (22:6) [M+Chol-head -H2O+H]+ NA NA NA NA NA NA NA NA NA
CE (22:6) [M+Na]+ 1.4089 1.4528 0.8304 0.8491 0.9366 0.9487 0.7872 0.6660 0.0175
CE (22:6) [M+NH4]+ 0.9097 0.9329 1.0695 1.0520 1.0473 1.0459 0.5945 1.1990 0.6419
Cer (d34:1) [M+H]+ NA NA NA NA NA NA NA NA NA
Cer (d34:1) [M+H-H2O]+ 1.0022 1.0268 1.0659 1.0516 1.0772 1.0413 0.7476 1.0783 0.3712
Cer (d34:1) [M+Na]+ 0.9927 0.9517 1.0511 1.0104 1.0300 0.9554 0.8586 1.1001 0.9022
Cer (d36:1) [M+H]+ NA NA NA NA NA NA NA NA NA
Cer (d36:1) [M+H-H2O]+ NA NA NA NA NA NA NA NA NA
Cer (d36:1) [M+Na]+ 1.1310 0.8908 1.1461 1.0009 1.1421 0.9801 0.9696 0.9816 0.2535
Cer (d38:1) [M+H]+ NA NA NA NA NA NA NA NA NA
Cer (d38:1) [M+H-H2O]+ NA NA NA NA NA NA NA NA NA
Cer (d38:1) [M+Na]+ 1.0183 0.9629 1.0758 0.9937 1.0546 0.9854 0.5730 1.1207 0.7225
Cer (d40:1) [M+H]+ 0.9807 0.9295 1.1139 1.0212 1.1239 0.9902 0.6263 1.0667 0.6612
Cer (d40:1) [M+H-H2O]+ 0.9891 0.9460 1.0825 0.9865 1.0588 0.9799 0.6128 1.0929 0.8604
Cer (d40:1) [M+Na]+ 1.0489 0.9881 1.1506 1.0136 1.1337 1.0264 0.6198 1.0071 0.0521
Cer (d41:1) [M+H]+ 0.9978 0.9522 1.0812 1.0287 1.0801 1.0181 0.5691 1.0777 0.6461
Cer (d41:1) [M+H-H2O]+ 0.8797 1.2148 0.9574 0.9228 1.0719 0.8680 0.9440 1.2201 0.3360
Cer (d41:1) [M+Na]+ 1.0305 1.0140 1.1427 1.0440 1.1398 1.0558 0.5760 1.0379 0.1479
Cer (d42:1) [M+H]+ 1.0283 0.9764 1.1330 1.0259 1.1299 1.0286 0.7359 1.0169 0.1078
Cer (d42:1) [M+H-H2O]+ 1.0174 0.9718 1.0972 1.0140 1.1265 1.0198 0.7480 1.0427 0.4878
Cer (d42:1) [M+Na]+ 1.0750 1.0414 1.1309 1.0162 1.1536 1.0432 0.7904 1.0134 0.0796
Cer (d42:2) A [M+H]+ 0.9747 0.9451 1.0462 1.0479 1.0010 1.0736 0.7163 1.0891 0.7239
Cer (d42:2) A [M+H-H2O]+ 0.9770 0.9294 1.0714 1.0616 1.0217 1.0980 0.5983 1.1274 0.5410
Cer (d42:2) A [M+Na]+ 0.8549 0.9819 1.1088 1.1702 0.9854 1.1672 0.4347 1.1531 0.0846
Cer (d42:2) B [M+H]+ NA NA NA NA NA NA NA NA NA
Cer (d42:2) B [M+H-H2O]+ NA NA NA NA NA NA NA NA NA
Cer (d42:2) B [M+Na]+ 0.9556 0.9134 1.0350 0.9579 1.0295 0.9292 0.6408 1.1141 1.2880
Cholesterol [M-H2O+H]+ 0.9738 0.9745 1.0032 0.9806 1.0181 1.0011 0.8306 1.0693 1.0290
DG (32:0) [M+K]+ NA NA NA NA NA NA NA NA NA
DG (32:0) [M+Na]+ 0.9314 1.0829 1.1102 1.0628 1.0293 1.0663 1.2532 1.0626 0.1636
DG (32:0) [M+NH4]+ NA NA NA NA NA NA NA NA NA
DG (32:1) [M+K]+ NA NA NA NA NA NA NA NA NA
DG (32:1) [M+Na]+ 0.8429 0.8281 1.1079 0.9993 1.1169 0.9662 1.0139 1.0862 1.1782
DG (32:1) [M+NH4]+ NA NA NA NA NA NA NA NA NA
DG (34:0) [M+K]+ NA NA NA NA NA NA NA NA NA
DG (34:0) [M+Na]+ 1.0311 1.0379 1.0555 1.0579 1.0108 1.0485 1.0876 1.0005 0.1155
DG (34:0) [M+NH4]+ NA NA NA NA NA NA NA NA NA
DG (34:1) [M+K]+ 0.8080 0.9247 1.1879 1.0463 1.2152 1.0563 1.0923 1.1255 0.1388
DG (34:1) [M+Na]+ 0.7666 0.9302 1.2442 1.0203 1.1894 0.9856 1.0408 1.1410 0.0408
DG (34:1) [M+NH4]+ 0.7772 0.8738 1.1388 0.9807 1.1572 0.9542 0.8311 1.1345 1.0932
DG (34:2) [M+K]+ 0.7500 0.7427 1.2385 1.1182 1.1274 1.1748 0.7869 1.1989 0.4142
DG (34:2) [M+Na]+ 0.7058 0.7637 1.1979 1.1664 1.1527 1.1536 0.8959 1.1209 0.5306
DG (34:2) [M+NH4]+ 0.7227 0.7672 1.1445 1.1116 1.0911 1.1032 0.7479 1.1155 0.9887
DG (34:3) [M+K]+ NA NA NA NA NA NA NA NA NA
DG (34:3) [M+Na]+ 0.9520 0.9325 1.1103 1.0405 1.0629 1.0230 0.9178 1.0738 0.6187
DG (34:3) [M+NH4]+ NA NA NA NA NA NA NA NA NA
DG (36:0) [M+K]+ 1.0551 1.0365 1.0021 1.0181 1.0379 1.0151 1.1356 0.9356 0.7323
DG (36:0) [M+Na]+ 1.0679 1.0557 1.0292 1.0138 1.0387 1.0297 1.0925 0.9632 0.5507
DG (36:0) [M+NH4]+ NA NA NA NA NA NA NA NA NA
DG (36:1) [M+K]+ 0.2497 0.3235 1.7090 1.4521 1.1440 1.0196 0.1565 1.6426 0.3174
DG (36:1) [M+Na]+ 0.7470 0.8613 1.2180 1.0901 1.0715 0.9986 0.9281 1.2702 0.1834
DG (36:1) [M+NH4]+ NA NA NA NA NA NA NA NA NA
DG (36:2) [M+K]+ 0.9363 0.9782 1.2434 1.0150 1.2077 0.9524 0.7014 1.0648 0.2234
DG (36:2) [M+Na]+ 0.8808 0.9301 1.2518 0.9563 1.1950 0.8835 0.6001 1.0853 0.0160
DG (36:2) [M+NH4]+ 0.8836 0.9367 1.2698 0.9835 1.1930 0.9085 0.4994 1.0981 0.6273
DG (36:3) [M+K]+ 0.7952 0.8088 1.1447 1.0282 1.1705 1.0515 0.6227 1.1401 0.0405
DG (36:3) [M+Na]+ 0.7686 0.8003 1.2084 1.0310 1.2240 1.0641 0.5626 1.1512 0.0132
DG (36:3) [M+NH4]+ 0.7687 0.7826 1.2154 1.0507 1.2242 1.0954 0.5232 1.0813 0.0460
DG (36:4) A [M+K]+ NA NA NA NA NA NA NA NA NA
DG (36:4) A [M+Na]+ 0.6680 0.7060 1.1610 1.1426 1.1873 1.3617 0.5498 0.9887 0.0324
DG (36:4) A [M+NH4]+ 0.6591 0.7008 1.0853 1.1310 1.1415 1.2479 0.4547 1.0701 1.0497
DG (36:4) B [M+K]+ 0.4840 0.4412 0.5471 1.4557 0.5753 2.0087 0.4967 1.0492 1.7715
DG (36:4) B [M+Na]+ 0.3876 0.4000 0.3832 1.5927 0.3369 2.2048 0.3273 1.1155 1.9798
DG (36:4) B [M+NH4]+ NA NA NA NA NA NA NA NA NA
DG (36:5) [M+K]+ NA NA NA NA NA NA NA NA NA
DG (36:5) [M+Na]+ 0.4396 0.4486 0.5789 1.6487 0.5686 2.2077 0.3803 0.8496 1.3193
DG (36:5) [M+NH4]+ 0.3718 0.3580 0.3811 1.6446 0.3776 2.2980 0.3055 1.0784 1.5132
DG (36:6) [M+K]+ NA NA NA NA NA NA NA NA NA
DG (36:6) [M+Na]+ 0.3227 0.3091 0.3060 1.9455 0.3415 2.1486 0.2812 1.1170 1.7244
DG (36:6) [M+NH4]+ NA NA NA NA NA NA NA NA NA
DG (38:5) [M+K]+ 0.7778 0.7794 1.0572 0.9030 1.0991 0.9976 0.7524 1.0221 1.8498
DG (38:5) [M+Na]+ 0.7644 0.8446 1.2053 0.9236 1.4949 0.9889 0.8973 0.9206 0.1761
DG (38:5) [M+NH4]+ NA NA NA NA NA NA NA NA NA
DG (38:6) [M+K]+ NA NA NA NA NA NA NA NA NA
DG (38:6) [M+Na]+ 0.7454 0.7576 1.0842 1.0025 1.2102 1.3422 0.6887 0.9598 0.8221
DG (38:6) [M+NH4]+ 0.7840 0.8077 1.0725 1.0269 1.2147 1.2980 0.7644 0.9889 0.4719
Hex2Cer (d34:1) [M+H]+ 0.9441 0.9655 1.0291 0.9615 1.0430 0.9817 0.6679 1.1064 1.0647
Hex2Cer (d34:1) [M-H2O+H]+ NA NA NA NA NA NA NA NA NA
Hex2Cer (d34:1) [M+Na]+ 0.9477 0.9505 1.0100 0.9503 1.0229 0.9813 0.6141 1.1480 1.1386
HexCer (d40:1) [M+H]+ NA NA NA NA NA NA NA NA NA
HexCer (d40:1) [M-H2O+H]+ NA NA NA NA NA NA NA NA NA
HexCer (d40:1) [M+Na]+ 1.0014 1.0109 1.0343 1.0027 1.0500 1.0511 0.7294 0.9963 0.1534
HexCer (d42:1) [M+H]+ 1.0043 0.9890 1.0798 1.0105 1.0429 1.0129 0.9305 1.0186 0.7028
HexCer (d42:1) [M-H2O+H]+ NA NA NA NA NA NA NA NA NA
HexCer (d42:1) [M+Na]+ 0.9842 1.0554 1.0095 1.0100 1.0264 1.0427 0.7776 1.0463 0.6922
HexCer (d42:2) [M+H]+ NA NA NA NA NA NA NA NA NA
HexCer (d42:2) [M-H2O+H]+ NA NA NA NA NA NA NA NA NA
HexCer (d42:2) [M+Na]+ 0.9720 1.0210 1.0259 1.0052 0.9892 1.0463 0.8395 1.0683 0.7655
LPC (14:0) [M+H]+ 1.0161 1.0548 1.0714 1.1046 0.9758 1.0315 0.6418 1.0102 0.5087
LPC (15:0) [M+H]+ 1.0108 0.9927 1.0764 1.0328 0.9967 0.9468 0.7449 1.0588 0.8502
LPC (16:0) [M+H]+ 0.9692 1.0234 1.0325 1.0352 0.9466 0.9628 1.1029 1.1153 0.8514
LPC (16:1) [M+H]+ 1.0054 1.0538 1.0117 0.9877 0.9311 0.9460 1.3678 1.1282 0.8524
LPC (18:0) [M+H]+ 1.0501 1.1040 1.0871 1.0771 1.0245 1.0278 1.1407 1.0375 0.1288
LPC (18:1) [M+H]+ 1.0380 1.1145 1.0263 1.0143 0.9409 0.9451 0.8598 1.0578 0.7627
LPC (18:2) [M+H]+ 0.8872 1.0040 1.0585 1.1030 0.9691 1.0621 0.6519 1.0869 0.7289
LPC (18:3) [M+H]+ 0.5636 0.6629 0.5702 1.3908 0.5724 2.2543 0.5416 0.9726 0.8454
LPC (20:3) [M+H]+ 1.0662 1.1034 1.0258 1.0008 0.8977 0.9525 0.8394 1.0163 0.9021
LPC (20:4) [M+H]+ 1.0954 1.1592 1.0428 1.0429 0.9274 0.9416 0.9143 1.0082 0.5570
LPC (20:5) [M+H]+ 0.9166 1.1869 0.9206 1.1106 0.8504 0.9784 0.6972 1.1789 0.7920
LPC (22:5) [M+H]+ 1.0277 1.1855 0.9723 1.0037 0.8938 0.9938 0.8363 1.0177 0.8141
LPE (18:0) [M+H]+ NA NA NA NA NA NA NA NA NA
LPE (18:2) [M+H]+ 0.6029 0.7008 1.1556 1.2255 1.1000 1.1273 0.6768 1.2441 0.8393
LPE (20:4) [M+H]+ 0.8590 0.8810 1.0826 1.1275 0.8950 1.0527 1.1037 1.2651 0.2839
LPE (22:3) [M+H]+ 0.9857 1.0064 1.0030 0.9706 0.9989 1.0239 0.9592 1.0469 0.9561
LPE (22:6) [M+H]+ NA NA NA NA NA NA NA NA NA
PC (28:0) [M+H]+ 0.7379 0.7723 1.0075 0.9772 1.2051 1.2307 0.6068 1.0995 1.0620
PC (30:0) [M+H]+ 0.9706 0.9809 0.9999 0.9562 1.0336 1.0278 0.5710 1.1050 0.9866
PC (31:0) [M+H]+ 1.0300 1.0141 1.0738 1.0305 1.0508 1.0153 0.4341 1.0850 0.5363
PC (31:1) [M+H]+ 0.9906 1.0320 1.0181 0.9988 0.9887 0.9848 0.6975 1.0497 0.9517
PC (32:0) [M+H]+ 0.9307 0.9618 0.9848 0.9833 1.0410 1.0471 0.7136 1.1155 NA
PC (32:1) [M+H]+ 0.9318 1.0211 1.0116 1.0226 1.0252 1.0365 1.0258 1.1627 0.6208
PC (32:2) [M+H]+ 0.9158 0.9455 1.0152 0.9649 1.0824 1.0666 0.5459 1.0433 1.0454
PC (33:0) [M+H]+ 1.0050 0.9863 1.0315 0.9880 1.0360 1.0026 0.4785 1.0622 0.1689
PC (33:1) [M+H]+ 0.9474 0.9651 1.0360 0.9877 1.0372 1.0097 0.4743 1.1338 0.9324
PC (33:2) [M+H]+ 0.9631 0.9857 1.0852 1.0317 1.1262 1.0871 0.4130 1.0676 0.4304
PC (34:0) [M+H]+ 1.0258 1.0319 1.0569 1.0393 1.1037 1.1060 0.6482 1.0354 0.0635
PC (34:1) [M+H]+ 1.0040 1.0216 1.0740 1.0598 1.0922 1.0249 0.8390 1.0961 0.3040
PC (34:2) [M+H]+ 0.9244 0.9645 1.0088 1.0078 1.0363 1.0412 0.7969 1.0756 0.9510
PC (34:3) A [M+H]+ 0.6825 0.8640 0.9921 1.1025 1.1529 1.0950 0.9610 1.4449 0.5056
PC (34:3) B [M+H]+ 0.9528 1.0789 1.0626 1.0598 0.9991 1.0851 0.7503 1.1509 0.2872
PC (34:3) C [M+H]+ 0.6009 0.7222 0.6757 1.1562 0.7155 2.0269 0.5478 1.0383 1.0532
PC (34:4) [M+H]+ 0.9556 0.9418 1.0361 0.9612 1.0839 1.0419 0.5978 1.0889 0.9082
PC (35:1) [M+H]+ 1.0059 0.9894 1.1127 1.0457 1.1285 1.0694 0.5234 1.0895 0.2281
PC (35:2) A [M+H]+ NA NA NA NA NA NA NA NA NA
PC (35:2) B [M+H]+ 0.9563 0.9754 1.1308 1.0816 1.1738 1.1379 0.5113 1.0534 0.0617
PC (35:3) [M+H]+ 0.9218 0.9434 1.0458 0.9941 1.0923 1.0480 0.4956 1.0935 0.8633
PC (35:4) [M+H]+ 0.9469 0.9432 1.0671 0.9753 1.0748 1.0104 0.4369 1.0952 0.9392
PC (36:1) [M+H]+ 0.9781 1.0183 1.0968 1.0750 1.1340 1.1212 0.7457 1.0800 0.0333
PC (36:2) [M+H]+ 0.9575 1.0014 1.1002 1.0922 1.1352 1.1351 0.7580 1.0375 0.0995
PC (36:3) A [M+H]+ 0.8864 0.8615 0.9624 0.8500 1.2487 1.0243 0.0075 1.4178 NA
PC (36:3) B [M+H]+ 1.0300 0.9316 1.1173 0.9933 1.1449 1.0462 0.8667 1.2135 0.1642
PC (36:4) A [M+H]+ 0.8863 1.0048 1.0085 1.0644 1.0847 1.1630 0.5894 1.0038 0.6060
PC (36:4) B [M+H]+ 0.7254 0.7110 0.6870 0.8740 0.6468 1.1528 0.6312 1.2329 3.1600
PC (36:4) C [M+H]+ 1.0159 1.0300 1.1014 1.0603 1.1189 1.0967 0.8363 1.0686 0.0388
PC (36:5) A [M+H]+ 0.7213 0.9136 0.8639 1.0306 1.0192 1.6022 0.5344 0.8817 0.8719
PC (36:5) B [M+H]+ NA NA NA NA NA NA NA NA NA
PC (36:5) C [M+H]+ 0.9309 0.7799 1.1275 0.9715 0.9639 1.2376 1.1237 1.3840 0.3403
PC (36:5) D [M+H]+ 0.8911 1.1072 0.9868 1.1181 0.9990 1.1429 0.5974 1.1666 0.2501
PC (36:6) [M+H]+ 0.9112 0.9604 1.0220 0.9798 1.0599 1.0315 0.4395 1.1271 0.9849
PC (37:2) [M+H]+ 0.9725 0.9935 1.1339 1.0920 1.1365 1.1225 0.6436 1.0264 0.0855
PC (37:4) [M+H]+ 0.9531 0.9585 1.0766 1.0052 1.1077 1.0429 0.5353 1.1065 0.6332
PC (37:5) [M+H]+ 0.5312 0.7166 1.1115 1.2611 1.1589 1.1186 0.2173 0.7967 2.0773
PC (37:6) [M+H]+ 0.9390 0.9725 1.0309 1.0007 1.0465 1.0052 0.3415 1.1464 0.9122
PC (38:1) [M+H]+ 0.9216 0.9341 1.0063 1.0138 1.0020 1.0640 0.4861 1.1479 0.9800
PC (38:2) [M+H]+ 0.9644 0.9859 1.0650 1.0315 1.0805 1.0662 0.8878 1.0832 0.4853
PC (38:3) [M+H]+ 0.9438 0.9388 1.0371 0.9787 1.0547 1.0308 0.7236 1.1372 0.0583
PC (38:4) A [M+H]+ 1.0104 0.8861 1.1104 0.9502 1.1100 1.0247 0.7434 1.1509 0.6155
PC (38:4) B [M+H]+ 0.9392 0.9757 1.0177 1.0106 1.0350 0.9980 0.9524 1.1291 0.8536
PC (38:4) C [M+H]+ 1.0183 1.0282 1.1001 1.0602 1.1180 1.0913 0.8143 1.0577 0.0767
PC (38:5) A [M+H]+ 0.9590 0.9833 1.0318 0.9991 1.0435 1.0278 0.7212 1.0817 0.8342
PC (38:5) B [M+H]+ 0.8312 0.9463 0.8806 0.9742 0.9685 0.9405 0.6846 1.0580 1.9155
PC (38:6) A [M+H]+ 0.9568 0.9898 1.0202 0.9908 1.0241 1.0298 0.6223 1.0618 0.9514
PC (38:6) B [M+H]+ 0.9649 1.0575 1.0542 1.0751 1.0690 1.0960 0.5754 1.1432 0.1768
PC (38:6) C [M+H]+ 0.9517 0.9005 1.0771 0.9757 1.1251 1.0346 0.6832 1.1921 0.6445
PC (38:7) [M+H]+ 0.8265 0.9172 1.0927 0.9711 0.9817 1.0918 0.7207 1.2194 0.9471
PC (39:4) [M+H]+ 0.9876 0.9743 1.1057 1.0226 1.0467 0.9886 0.4785 1.0427 0.7879
PC (40:4) [M+H]+ 0.9722 1.0101 1.0525 1.0428 1.0864 1.0711 1.0646 1.1109 0.3147
PC (40:5) A [M+H]+ 0.9681 1.0314 1.0518 1.0595 1.0669 1.1029 0.8090 1.0932 0.2891
PC (40:5) B [M+H]+ 0.9942 0.9693 1.1066 1.0661 1.1330 1.1075 0.9156 1.0734 0.1173
PC (40:6) A [M+H]+ 0.9838 0.9608 1.0295 1.0483 1.0612 0.9769 0.8033 1.1108 0.7440
PC (40:6) B [M+H]+ 0.9173 1.0221 1.0045 1.0503 1.0280 1.0781 0.6113 1.2382 0.0274
PC (40:7) A [M+H]+ 0.9945 0.9653 1.0929 0.9436 1.0699 1.1291 0.7342 1.0618 0.5560
PC (40:7) B [M+H]+ 0.9630 0.9995 1.0630 1.0364 1.0899 1.0746 0.5269 1.1497 0.3801
PC (40:8) [M+H]+ 0.9193 0.9860 1.0030 1.0293 1.0147 1.0712 0.5710 1.0756 0.9004
PC (42:10) [M+H]+ 0.8815 1.0168 0.9598 1.0222 1.0079 1.0901 0.5772 1.1270 0.8991
PC (o-32:0) [M+H]+ 0.9430 0.9996 1.0179 1.0090 1.0291 1.0303 0.7326 1.1173 0.1174
PC (o-34:0) [M+H]+ 0.9710 0.9788 1.0042 1.0151 1.0659 1.0793 0.6009 1.1153 0.1877
PC (p-32:1) or PC (o-32:2) [M+H]+ 0.9703 0.9327 1.0624 0.9779 1.0103 1.0116 0.7236 1.1638 0.8785
PC (p-34:0) or PC (o-34:1) [M+H]+ NA NA NA NA NA NA NA NA NA
PC (p-34:1) or PC (o-34:2) [M+H]+ 0.8443 1.0754 0.9879 1.0765 0.9255 1.0666 0.8667 1.1361 0.8128
PC (p-34:2) or PC (o-34:3) [M+H]+ 0.8890 1.0116 1.0016 1.0534 1.0273 1.0875 0.6250 1.0651 0.0299
PC (p-36:1) or PC (o-36:2) A [M+H]+ 0.9524 1.0538 1.0413 1.0447 1.0425 1.0728 0.8082 1.0420 0.5219
PC (p-36:1) or PC (o-36:2) B [M+H]+ 0.9287 1.0328 1.0834 0.9663 1.0436 1.0851 0.6823 1.0335 0.7136
PC (p-36:2) or PC (o-36:3) [M+H]+ 0.9595 1.0551 1.0756 1.0979 1.0768 1.1228 0.6632 1.0231 0.1996
PC (p-36:4) or PC (o-36:5) [M+H]+ 0.9678 0.9689 1.0480 0.9881 1.0547 0.9989 0.6707 1.1791 0.7350
PC (p-36:5) or PC (o-36:6) [M+H]+ 0.8743 1.0463 0.9715 1.0477 0.9456 1.0467 0.4746 1.3047 0.7253
PC (p-38:3) or PC (o-38:4) A [M+H]+ 1.0196 0.9769 1.1443 0.9117 1.0970 0.9979 0.8525 1.1490 0.5192
PC (p-38:3) or PC (o-38:4) B [M+H]+ 1.0347 1.0202 1.0969 1.0303 1.1176 1.0584 0.6682 1.0585 0.2349
PC (p-38:4) or PC (o-38:5) A [M+H]+ 0.9562 0.9754 1.0343 0.9830 1.0408 1.0100 0.6845 1.1139 0.1048
PC (p-38:4) or PC (o-38:5) B [M+H]+ 1.0190 0.9926 1.1175 1.0131 1.1324 1.0396 0.6949 1.0609 0.1581
PC (p-38:5) or PC (o-38:6) A [M+H]+ 0.9056 1.0145 0.9771 0.9956 0.9807 1.0420 0.3428 1.2072 NA
PC (p-38:5) or PC (o-38:6) B [M+H]+ 0.9729 1.0150 1.0593 1.0220 1.0595 1.0457 0.8028 1.1093 0.4993
PC (p-38:6) or PC (o-38:7) [M+H]+ 0.9762 1.0572 1.0398 1.0662 1.0307 1.0614 0.5770 1.1660 0.3188
PC (p-40:3) or PC (o-40:4) [M+H]+ 1.0151 1.0195 1.0731 1.0240 1.0957 1.0488 0.6423 1.0603 0.4043
PC (p-40:4) or PC (o-40:5) [M+H]+ 1.0112 1.0231 1.0798 1.0239 1.0961 1.0504 0.7018 1.0550 0.3833
PC (p-40:5) or PC (o-40:6) [M+H]+ 0.9406 0.9852 1.0026 1.0197 1.0016 1.0155 0.5616 1.1022 NA
PC (p-40:6) or PC (o-40:7) A [M+H]+ 0.9545 1.0299 1.0338 1.0368 1.0507 1.0733 0.5541 1.1379 0.4825
PC (p-40:6) or PC (o-40:7) B [M+H]+ 0.9093 1.0103 1.0009 1.0199 1.0723 1.0399 0.6895 1.1918 0.5076
PC (p-42:2) or PC (o-42:3) [M+H]+ 0.8893 1.0515 1.0359 1.0916 1.0586 1.1075 0.5244 1.0211 0.5425
PC (p-42:4) or PC (o-42:5) [M+H]+ 1.0178 0.8878 1.0238 0.9420 1.0119 1.0514 0.7123 1.1180 1.0229
PC (p-42:5) or PC (o-42:6) A [M+H]+ 1.0237 1.0094 1.0964 1.0489 1.1085 1.0739 0.7419 1.0366 0.2452
PC (p-42:5) or PC (o-42:6) B [M+H]+ 0.9436 1.0457 1.0692 1.0295 1.0556 1.0549 0.6864 1.0957 0.4866
PC (p-44:4) or PC (o-44:5) [M+H]+ 1.0028 1.0141 1.0878 1.0181 1.0878 1.0431 0.6488 1.0297 0.5003
PE (34:2) [M+H]+ 0.7504 0.8426 1.1874 1.2419 1.1467 1.1467 0.6917 1.1671 0.1169
PE (36:1) [M+H]+ 0.6466 0.7337 1.2106 1.2128 1.2078 1.1283 0.5411 1.2213 0.3319
PE (36:2) [M+H]+ 0.6817 0.6714 0.8042 0.7605 0.8144 0.8303 0.6589 1.3335 3.5572
PE (36:4) [M+H]+ 0.8123 0.8519 0.9527 1.0833 0.9915 1.1630 0.5030 1.0802 1.2419
PE (38:4) [M+H]+ 0.8039 0.8518 1.0306 1.1278 1.0089 1.0458 0.4588 1.2610 NA
PE (38:6) [M+H]+ 0.8860 1.0713 0.9899 1.1181 0.8618 0.9929 0.5089 1.2506 0.8207
PE (p-34:1) or PE (o-34:2) [M+H]+ 0.9679 0.9952 0.9848 1.0244 0.9715 1.0682 0.9285 1.0661 0.8598
PE (p-36:1) or PE (o-36:2) [M+H]+ 1.0085 0.9943 1.0214 1.0258 1.0453 1.0688 0.9045 0.9468 0.7583
PE (p-36:2) or PE (o-36:3) [M+H]+ 0.9794 0.9879 1.0601 1.0285 1.0830 1.0748 0.6640 1.0685 0.5119
PE (p-36:4) or PE (o-36:5) [M+H]+ 0.9344 0.9638 0.9833 1.0206 1.0654 1.0893 0.5398 1.2326 0.0368
PE (p-38:4) or PE (o-38:5) [M+H]+ 1.0011 0.9682 1.0550 1.0547 1.1564 1.1265 0.5816 1.1237 0.1320
PE (p-38:5) or PE (o-38:6) [M+H]+ 0.9616 1.0371 1.0255 1.0843 1.0940 1.1242 0.6702 1.1472 0.1279
PE (p-40:4) or PE (o-40:5) A [M+H]+ 1.0132 0.9647 0.8809 1.1687 1.1571 1.1480 0.5019 0.8614 0.5184
PE (p-40:4) or PE (o-40:5) B [M+H]+ 0.9109 0.9886 0.9894 1.0505 1.1300 1.1620 0.7141 1.0012 0.5521
PE (p-40:5) or PE (o-40:6) [M+H]+ 0.9634 0.9425 0.9686 1.0700 1.0572 1.0882 0.6155 1.1395 0.6538
SM (d30:1) [M+H]+ 0.9114 0.9736 1.0055 0.9982 1.0065 1.0415 0.4573 1.1365 1.0143
SM (d32:0) [M+H]+ 0.9168 1.0072 0.9978 0.9889 1.0336 1.0762 0.5746 1.0938 0.8796
SM (d32:1) [M+H]+ 0.9484 0.9563 1.0356 0.9836 1.0612 1.0208 0.4969 1.1082 0.9236
SM (d32:2) [M+H]+ 0.9409 0.9606 1.0093 0.9813 1.0118 1.0289 0.6261 1.1116 1.0365
SM (d33:1) [M+H]+ 0.9618 0.9630 1.0360 0.9751 1.0611 1.0170 0.5291 1.1303 0.8665
SM (d34:0) [M+H]+ 0.9436 0.9959 1.0053 0.9927 1.0289 1.0147 0.8064 1.1432 0.8469
SM (d34:1) [M+H]+ 0.9536 0.9662 1.0294 0.9848 1.0427 1.0120 0.7914 1.1305 0.8625
SM (d34:2) [M+H]+ 0.9576 0.9711 1.0297 0.9673 1.0455 1.0012 0.7952 1.1303 0.8998
SM (d36:0) [M+H]+ 0.9993 1.0415 1.0376 1.0260 1.0584 1.0206 1.0490 1.1054 0.2963
SM (d36:1) [M+H]+ 0.9815 1.0052 1.0619 1.0172 1.0689 1.0350 0.7189 1.1300 0.0210
SM (d36:2) [M+H]+ 0.9501 0.9687 1.0462 0.9881 1.0541 1.0080 0.6370 1.1748 0.7698
SM (d36:3) [M+H]+ 0.9834 0.9549 1.0478 0.9790 1.0876 0.9569 0.9543 1.1021 0.8481
SM (d38:1) [M+H]+ 0.9658 0.9566 1.0399 0.9665 1.0562 0.9984 0.5418 1.1005 NA
SM (d38:2) [M+H]+ 0.9623 0.9767 1.0267 0.9819 1.0320 1.0034 0.6749 1.0711 NA
SM (d39:1) [M+H]+ 1.0162 1.0128 1.1014 1.0240 1.1106 1.0510 0.4946 1.0722 0.0619
SM (d40:0) [M+H]+ 0.9682 0.8839 0.9531 0.9341 0.9213 0.9099 0.9544 1.1510 1.8509
SM (d40:1) [M+H]+ 0.9663 0.9646 1.0313 0.9841 1.0538 1.0068 0.6971 1.1092 0.0269
SM (d40:2) A [M+H]+ NA NA NA NA NA NA NA NA NA
SM (d40:2) B [M+H]+ 1.0177 1.0204 1.0997 1.0424 1.1175 1.0679 0.7381 1.0594 0.1999
SM (d41:1) [M+H]+ 1.0307 1.0443 1.1021 1.0568 1.1107 1.0818 0.6646 1.0684 0.0683
SM (d41:2) A [M+H]+ 0.8118 0.9723 0.8164 1.0730 0.9951 1.1784 0.1177 1.3125 NA
SM (d41:2) B [M+H]+ 0.9877 1.0154 1.0651 1.0351 1.0810 1.0567 0.5989 1.1038 0.4106
SM (d42:1) [M+H]+ 1.0153 1.0354 1.0791 1.0445 1.1023 1.0752 0.8419 1.0926 0.0644
SM (d42:2) [M+H]+ 0.9870 1.0256 1.0671 1.0453 1.0793 1.0843 0.7925 1.1197 0.2420
SM (d42:3) [M+H]+ 0.9160 0.9700 1.0079 0.9906 1.0229 1.0221 0.7136 1.1440 NA
SM (d43:1) [M+H]+ 0.9621 0.9752 1.0692 0.9690 1.0407 1.0311 0.3862 1.1487 0.7950
SM (d43:2) [M+H]+ 0.9847 1.0291 1.0675 1.0334 1.0494 1.0462 0.4607 1.1377 0.0981
TG (40:0) [M+K]+ 0.4303 0.4301 1.5206 1.4160 1.1400 1.0669 0.4680 1.5028 0.2351
TG (40:0) [M+Na]+ 0.3438 0.3363 1.6038 1.4782 1.1709 1.1068 0.3918 1.5392 0.1055
TG (40:0) [M+NH4]+ 0.3067 0.3089 1.6364 1.5006 1.1385 1.1239 0.3321 1.5614 0.1318
TG (40:1) [M+K]+ 0.3780 0.3587 1.7311 1.2118 1.3274 0.9793 0.4721 1.4900 0.2045
TG (40:1) [M+Na]+ 0.2295 0.2146 1.8833 1.3334 1.3015 0.9765 0.3839 1.5415 0.1485
TG (40:1) [M+NH4]+ 0.2927 0.3034 1.7355 1.3365 1.2554 0.9848 0.4028 1.5558 0.4886
TG (42:0) [M+K]+ 0.6915 0.6727 1.6177 0.8962 1.2678 0.7551 0.7330 1.2652 0.9622
TG (42:0) [M+Na]+ 0.5024 0.4945 1.6519 1.2034 1.2431 0.9612 0.5536 1.3689 0.0903
TG (42:0) [M+NH4]+ 0.3450 0.3317 1.4255 1.6243 1.0738 1.2005 0.3449 1.4663 0.0747
TG (42:1) [M+K]+ 0.2510 0.2742 1.8207 1.3013 1.4217 0.9916 0.4613 1.5228 0.1520
TG (42:1) [M+Na]+ 0.1128 0.0998 2.0311 1.3271 1.4819 0.9468 0.1796 1.6714 0.1259
TG (42:1) [M+NH4]+ 0.1012 0.0979 2.0370 1.3771 1.4539 0.9954 0.1583 1.6245 0.0555
TG (42:2) [M+K]+ 0.0798 0.0791 1.5390 1.4364 1.1128 0.9976 0.1027 1.5810 0.0560
TG (42:2) [M+Na]+ 0.0519 0.0390 1.6922 1.7009 1.1617 1.1305 0.0613 1.6416 0.0678
TG (42:2) [M+NH4]+ 0.0605 0.0441 1.5745 1.7063 1.0790 1.1015 0.0825 1.6535 0.0597
TG (42:3) [M+K]+ 0.1084 0.0955 0.7093 2.2766 0.4762 1.7103 0.1161 1.4092 1.4640
TG (42:3) [M+Na]+ 0.0760 0.0603 0.6815 2.4510 0.4399 1.8238 0.0750 1.4045 0.7406
TG (42:3) [M+NH4]+ 0.1383 0.1204 0.7190 2.3071 0.4697 1.7281 0.1904 1.2941 0.5399
TG (44:0) [M+K]+ 0.5001 0.4912 1.4570 1.4064 1.1131 1.0931 0.6917 1.4144 0.0982
TG (44:0) [M+Na]+ 0.3634 0.3610 1.3409 1.3731 1.0225 1.0475 0.4539 1.6099 1.1606
TG (44:0) [M+NH4]+ 0.2406 0.2137 1.4557 1.3796 1.1348 1.1031 0.2353 1.5865 1.2203
TG (44:1) [M+K]+ 0.3680 0.3934 2.0512 0.9027 1.7231 0.7674 0.5617 1.3233 0.2735
TG (44:1) [M+Na]+ 0.2536 0.2343 1.8827 1.0125 1.5372 0.8529 0.3462 1.5151 0.9403
TG (44:1) [M+NH4]+ 0.2124 0.1808 1.7198 1.4384 1.4169 1.1787 0.2384 1.5016 0.0965
TG (44:2) [M+K]+ 0.1893 0.1773 1.7113 1.4839 1.3657 1.1303 0.2162 1.5837 0.1492
TG (44:2) [M+Na]+ 0.1475 0.1208 1.7320 1.5753 1.3186 1.1802 0.1447 1.6088 0.0728
TG (44:2) [M+NH4]+ 0.1431 0.1187 1.6424 1.6725 1.2417 1.2211 0.1273 1.5286 0.0654
TG (46:0) [M+K]+ 0.7263 0.6941 1.1089 1.1006 0.9596 0.9791 0.9042 1.1682 1.6582
TG (46:0) [M+Na]+ 0.5863 0.5678 1.1636 1.1796 0.9710 1.0447 0.8320 1.3569 1.4781
TG (46:0) [M+NH4]+ 0.5710 0.5259 1.2859 1.2540 1.1012 1.1382 0.6665 1.3797 0.7231
TG (46:1) [M+K]+ 0.3759 0.3744 1.5927 1.2350 1.4132 1.0254 0.5447 1.4651 0.0553
TG (46:1) [M+Na]+ 0.3125 0.3046 1.7079 1.2580 1.4740 1.0705 0.3821 1.5370 0.0827
TG (46:1) [M+NH4]+ 0.2416 0.2035 1.8161 1.2367 1.5704 1.1040 0.1930 1.4687 0.0644
TG (46:2) [M+K]+ 0.3515 0.3336 1.6805 1.3003 1.4695 1.0407 0.3886 1.4296 0.1477
TG (46:2) [M+Na]+ 0.2124 0.1805 1.6796 1.4757 1.3885 1.1669 0.1827 1.5577 0.0995
TG (46:2) [M+NH4]+ 0.1427 0.1117 1.5676 1.6808 1.2872 1.3296 0.0898 1.4940 0.1280
TG (46:3) A [M+K]+ 0.3829 0.3404 1.8103 1.1231 1.6308 1.0163 0.2399 1.3413 0.1020
TG (46:3) A [M+Na]+ 0.3045 0.2493 1.8202 1.2450 1.5460 1.0722 0.2180 1.3719 0.0817
TG (46:3) A [M+NH4]+ 0.2815 0.2161 1.6479 1.4191 1.3694 1.1849 0.1849 1.3554 0.1325
TG (46:3) B [M+K]+ 0.1846 0.1717 0.5674 2.1623 0.5351 1.7741 0.1761 1.6191 1.1620
TG (46:3) B [M+Na]+ 0.1109 0.0888 0.5725 2.4035 0.4132 1.9295 0.0925 1.4919 0.8020
TG (46:3) B [M+NH4]+ 0.1024 0.0887 0.4510 2.5508 0.3445 2.0351 0.0691 1.4211 0.9412
TG (46:4) A [M+K]+ 0.2870 0.1985 1.4242 1.3927 1.0769 0.9463 0.1344 1.5568 NA
TG (46:4) A [M+Na]+ 0.2069 0.1900 1.5062 1.6128 1.1161 1.1378 0.0978 1.5613 0.6212
TG (46:4) A [M+NH4]+ 0.3024 0.3286 1.3098 1.3736 0.9966 0.8994 0.1941 1.4224 0.2401
TG (46:4) B [M+K]+ 0.2652 0.3012 0.6124 1.0986 0.6116 1.2199 0.2344 1.4858 3.4720
TG (46:4) B [M+Na]+ 0.2094 0.2039 1.3138 1.4485 0.9158 1.2907 0.1916 1.3623 1.8291
TG (46:4) B [M+NH4]+ 0.3126 0.4475 0.5858 1.1095 0.6994 0.9850 NA 1.1954 2.0747
TG (46:5) [M+K]+ 0.3018 0.2910 0.6933 2.1042 0.5323 1.6009 0.2754 1.3733 1.3762
TG (46:5) [M+Na]+ 0.2703 0.2577 0.6707 2.4613 0.5019 1.7683 0.2405 1.3631 0.4129
TG (46:5) [M+NH4]+ 0.4054 0.3320 0.6430 1.7653 0.5462 1.3474 0.2637 1.1460 1.0421
TG (48:0) [M+K]+ 0.7042 0.7786 0.9786 1.0681 0.9516 1.0877 1.2125 1.1681 1.5639
TG (48:0) [M+Na]+ 0.7035 0.7823 0.9483 1.1241 0.9098 1.1426 1.3359 1.2268 1.3392
TG (48:0) [M+NH4]+ 0.5693 0.6352 1.1207 1.0988 1.0172 1.0880 0.7507 1.3168 1.5202
TG (48:1) [M+K]+ 0.6764 0.6741 1.1361 1.0346 1.0482 0.8939 0.7247 1.2060 1.8782
TG (48:1) [M+Na]+ 0.7557 0.7239 1.3333 1.1799 1.2259 1.0752 0.8070 1.2621 0.0357
TG (48:1) [M+NH4]+ 0.6678 0.6378 1.2004 1.0308 1.1207 0.9588 0.6301 1.2801 1.4677
TG (48:2) [M+K]+ 0.6909 0.6747 1.3360 0.9238 1.2691 0.9529 0.7068 1.4100 0.7975
TG (48:2) [M+Na]+ 0.6075 0.5757 1.4679 1.1391 1.3269 1.0486 0.5269 1.3432 0.2618
TG (48:2) [M+NH4]+ 0.5173 0.4422 1.6018 1.1583 1.4464 1.1042 0.2780 1.3206 0.1500
TG (48:3) [M+K]+ 0.4323 0.4137 1.6591 1.1743 1.5793 1.0371 0.4041 1.3222 0.0872
TG (48:3) [M+Na]+ 0.2793 0.2504 1.7653 1.2462 1.5670 1.0744 0.1933 1.4179 0.0169
TG (48:3) [M+NH4]+ 0.2041 0.1618 1.7726 1.4040 1.5330 1.1913 0.0996 1.4170 0.0277
TG (48:4) A [M+K]+ 0.1715 0.1738 1.7027 1.3514 1.5336 1.1537 0.1309 1.4591 0.2476
TG (48:4) A [M+Na]+ 0.1204 0.1054 1.6491 1.5758 1.3923 1.2599 0.0687 1.5256 0.1511
TG (48:4) A [M+NH4]+ 0.0904 0.0770 1.4368 1.8395 1.1799 1.4055 0.0358 1.5509 0.0548
TG (48:4) B [M+K]+ 0.2056 0.1736 0.4201 1.6417 0.3967 1.1818 0.2089 0.9123 4.3915
TG (48:4) B [M+Na]+ 0.1311 0.0939 0.2632 1.5243 0.2558 1.7281 0.1430 0.7992 4.7332
TG (48:4) B [M+NH4]+ 0.1086 0.1242 0.2378 1.5654 0.1718 1.5950 0.0941 0.7459 3.9989
TG (48:5) [M+K]+ 0.1045 0.1039 0.8160 2.3703 0.6340 1.8825 0.0794 1.5529 0.2055
TG (48:5) [M+Na]+ 0.0550 0.0514 0.5486 2.6504 0.4314 1.9885 0.0318 1.4893 0.3376
TG (48:5) [M+NH4]+ 0.0565 0.0508 0.4805 2.8254 0.3713 2.0814 0.0465 1.3796 0.3647
TG (48:6) [M+K]+ 0.1017 0.0896 0.1435 1.8049 0.1501 1.5767 NA 1.0134 0.6512
TG (48:6) [M+Na]+ 0.0761 0.0746 0.1098 2.6127 0.1185 2.1602 0.0665 1.3206 0.2669
TG (48:6) [M+NH4]+ 0.1071 0.1002 0.1398 2.1309 0.1399 1.7147 0.0852 1.0753 0.4034
TG (49:0) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (49:0) [M+Na]+ 0.9979 0.9592 1.1617 1.0645 0.9659 0.9507 0.8796 1.1250 0.6294
TG (49:0) [M+NH4]+ 0.9314 0.8690 1.1505 1.0663 0.9142 0.9254 0.6820 1.1843 1.0832
TG (49:1) [M+K]+ 1.0382 1.0148 1.1040 0.8727 0.9968 0.7692 0.8531 1.0764 1.3845
TG (49:1) [M+Na]+ 1.0071 0.9841 1.1382 0.9187 0.9916 0.8063 0.6600 1.1344 1.2190
TG (49:1) [M+NH4]+ 0.8462 0.8115 1.0293 1.0606 0.9916 0.9667 0.2735 1.1445 1.5344
TG (49:2) [M+K]+ 1.0837 1.0216 1.2050 0.7877 1.0810 0.7206 0.7666 1.0388 1.3109
TG (49:2) [M+Na]+ 1.1317 1.0688 1.3273 0.9103 1.1419 0.7785 0.6333 1.0881 0.2639
TG (49:2) [M+NH4]+ 0.9674 0.8688 1.2915 1.1214 1.1156 1.0184 0.3861 1.1192 0.1642
TG (49:3) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (49:3) [M+Na]+ 1.1440 1.0621 1.4125 0.8361 1.2332 0.7075 0.6064 1.0334 0.3131
TG (49:3) [M+NH4]+ 0.8409 0.7395 1.2207 1.2704 1.0882 1.1619 0.1051 1.1470 0.2662
TG (50:0) [M+K]+ 0.9749 0.9635 1.0572 1.0450 0.9688 1.0502 1.4053 1.0944 0.6369
TG (50:0) [M+Na]+ 0.8310 0.8419 1.1254 1.1188 0.9790 1.0902 1.1479 1.2010 0.6661
TG (50:0) [M+NH4]+ 0.5417 0.5475 1.2025 1.2253 0.9671 1.1168 0.6089 1.2678 1.4699
TG (50:1) [M+K]+ 0.8383 0.9010 1.0146 1.0216 0.9576 0.9604 1.0828 1.1257 1.4189
TG (50:1) [M+Na]+ 0.8282 0.8999 1.0089 1.0430 0.9431 0.9681 1.0519 1.1713 1.3508
TG (50:1) [M+NH4]+ 0.7052 0.7752 1.1641 1.0294 1.0517 0.9374 0.6643 1.2713 1.3587
TG (50:2) [M+K]+ 0.8526 0.8672 1.1637 1.1128 1.0807 0.9894 0.9088 1.1573 0.6399
TG (50:2) [M+Na]+ 0.8450 0.8455 1.1318 1.0858 1.0178 0.9466 0.8538 1.1817 1.0178
TG (50:2) [M+NH4]+ 0.7680 0.7706 1.1227 1.0466 1.0187 0.9439 0.6481 1.2378 1.3967
TG (50:3) A [M+K]+ 0.9923 0.9681 1.1342 1.0613 1.1370 1.0017 0.9582 1.0235 0.1079
TG (50:3) A [M+Na]+ 0.8772 0.8678 1.2113 1.1171 1.1775 1.0747 0.7382 1.1791 0.1023
TG (50:3) A [M+NH4]+ 0.7402 0.6863 1.3265 1.1458 1.2750 1.1287 0.4183 1.1356 0.3020
TG (50:3) B [M+K]+ 0.3929 0.3809 0.3655 0.9444 0.3719 0.8268 0.4516 1.3356 6.1773
TG (50:3) B [M+Na]+ 0.3097 0.2592 0.3080 1.1010 0.2589 1.1125 0.3917 1.4613 5.7905
TG (50:3) B [M+NH4]+ 0.3824 0.3548 0.5810 1.1489 0.5221 1.1694 0.2761 0.7847 5.2374
TG (50:4) [M+K]+ 0.7600 0.7450 1.1951 1.1900 1.2189 1.1928 0.5938 1.1648 0.0984
TG (50:4) [M+Na]+ 0.6458 0.6070 1.2077 1.1766 1.1827 1.2005 0.3686 1.1587 0.8351
TG (50:4) [M+NH4]+ 0.6359 0.5494 1.3455 1.2852 1.2881 1.3311 0.2505 1.0663 0.1403
TG (50:5) [M+K]+ 0.4879 0.4389 0.8582 1.6485 0.8321 1.6505 0.1952 1.1914 0.8751
TG (50:5) [M+Na]+ 0.4433 0.3856 0.8067 1.8032 0.7646 1.8505 0.2068 1.1585 0.5893
TG (50:5) [M+NH4]+ 0.3990 0.3242 0.7501 1.9017 0.6878 1.9650 0.1725 1.0877 0.7316
TG (50:6) [M+K]+ 0.3826 0.3214 0.6853 1.7483 0.7070 1.7617 0.2647 1.2341 0.6838
TG (50:6) [M+Na]+ 0.2411 0.2287 0.7086 1.9673 0.7096 1.9617 0.1532 1.3296 0.6223
TG (50:6) [M+NH4]+ 0.2633 0.2407 0.7107 1.9627 0.6778 1.9325 0.1783 1.2876 0.7542
TG (51:1) [M+K]+ 0.9290 0.9347 1.1056 0.9498 0.9504 0.8359 0.7352 1.1439 1.4679
TG (51:1) [M+Na]+ NA NA NA NA NA NA NA NA NA
TG (51:1) [M+NH4]+ 0.6422 0.8519 0.8002 1.0863 0.9326 0.8060 0.5961 0.9782 2.8637
TG (51:2) [M+K]+ 1.0943 1.0543 1.1563 0.8884 1.0263 0.7924 0.7447 1.0654 0.9437
TG (51:2) [M+Na]+ 1.0355 1.0160 1.1630 0.9116 1.0116 0.7986 0.5630 1.1143 1.0866
TG (51:2) [M+NH4]+ 0.8512 0.8548 1.1155 1.0679 0.9647 0.9265 0.3388 1.1674 1.3336
TG (51:3) [M+K]+ 1.0593 1.0623 1.1723 0.7990 1.1065 0.7517 0.6850 1.0166 1.2115
TG (51:3) [M+Na]+ 1.0207 0.9928 1.2037 0.9003 1.1027 0.8319 0.5150 1.0140 1.0252
TG (51:3) [M+NH4]+ 0.8744 0.8285 1.2076 1.2059 1.0866 1.1330 0.3331 1.0873 0.2883
TG (51:4) [M+K]+ 1.0243 1.0559 1.2039 0.8498 1.1330 0.8231 0.6655 0.9579 1.0029
TG (51:4) [M+Na]+ 0.9936 0.9814 1.2415 0.9689 1.1575 0.9561 0.4492 0.9840 0.5561
TG (51:4) [M+NH4]+ 0.8113 0.7584 1.2008 1.2460 1.1175 1.2387 0.3110 1.0106 0.3269
TG (51:5) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (51:5) [M+Na]+ 0.8677 0.8507 0.9386 1.0593 0.8962 1.3728 0.4193 0.9290 1.2028
TG (51:5) [M+NH4]+ 0.6653 0.6189 1.0351 1.2204 0.9089 1.4844 0.4254 0.9380 1.2833
TG (52:0) [M+K]+ 1.0323 0.9806 1.1504 0.8765 0.9621 0.8068 1.1774 1.0555 1.3257
TG (52:0) [M+Na]+ 0.9208 0.8656 1.1811 0.9918 0.9113 0.8681 0.9908 1.1624 1.3195
TG (52:0) [M+NH4]+ 0.6612 0.5955 1.1728 1.2211 0.8515 0.9775 0.6536 1.2467 1.7565
TG (52:1) [M+K]+ 0.9152 0.9650 1.0576 0.9760 0.9799 0.8902 1.0915 1.1390 1.2254
TG (52:1) [M+Na]+ 0.7688 0.8359 1.1666 1.0565 0.9950 0.9163 0.8672 1.2550 1.1789
TG (52:1) [M+NH4]+ 0.5137 0.5945 1.2632 1.1847 1.0087 0.9704 0.5175 1.3611 1.4986
TG (52:2) [M+K]+ 0.6790 0.7473 0.8922 0.8521 0.8249 0.7666 0.4827 1.1980 2.9324
TG (52:2) [M+Na]+ 1.0418 1.0435 1.1322 1.0816 1.0855 0.9909 0.8875 1.0454 0.1755
TG (52:2) [M+NH4]+ 0.8394 0.8545 1.1701 0.9988 1.0660 0.8784 0.6030 1.2002 1.1985
TG (52:3) [M+K]+ 1.0448 1.0633 0.9591 1.0308 0.9768 1.0245 1.0464 0.9901 0.7842
TG (52:3) [M+Na]+ 0.9160 0.9405 1.0107 1.0275 1.0018 0.9931 0.8262 1.0833 1.1304
TG (52:3) [M+NH4]+ 0.7793 0.8066 1.1153 1.0362 1.0641 0.9764 0.5880 1.1911 1.2573
TG (52:4) [M+K]+ 1.0425 1.0649 0.9620 1.0414 1.0105 1.0808 1.0610 0.9826 0.1445
TG (52:4) [M+Na]+ 0.9039 0.9381 1.0895 1.1471 1.1003 1.1805 0.7700 1.1038 0.1079
TG (52:4) [M+NH4]+ 0.6980 0.7279 1.2322 1.2457 1.1772 1.2481 0.4186 1.1723 0.1382
TG (52:5) [M+K]+ 1.1184 1.0179 1.0262 0.8594 1.1042 1.0563 0.9925 0.7155 1.1050
TG (52:5) [M+Na]+ 0.7100 0.6904 0.8098 1.4814 0.7943 1.5801 0.4452 1.0998 0.6687
TG (52:5) [M+NH4]+ 0.4337 0.4211 0.7417 1.8440 0.6915 1.9522 0.1914 1.0611 0.6523
TG (52:6) [M+K]+ 0.5759 0.5496 0.6274 1.6098 0.6561 1.6767 0.5216 1.2428 1.1491
TG (52:6) [M+Na]+ 0.4018 0.3604 0.5348 2.0490 0.5519 2.0138 0.2945 1.3347 0.4974
TG (52:6) [M+NH4]+ 0.2840 0.2424 0.4060 2.2359 0.4188 2.0748 0.1616 1.2222 1.1775
TG (53:0) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (53:0) [M+Na]+ 0.8838 0.8588 1.1999 1.0784 0.8906 0.8957 0.8164 1.1030 1.2909
TG (53:0) [M+NH4]+ 0.8587 0.8083 1.2104 1.0875 0.8727 0.8740 0.6312 1.1203 1.5040
TG (53:1) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (53:1) [M+Na]+ 0.8852 0.9041 1.2063 1.0763 0.8954 0.8477 0.6344 1.1716 1.2030
TG (53:1) [M+NH4]+ 0.8102 0.8469 1.1776 1.1273 0.8725 0.8728 0.5053 1.2292 1.3479
TG (53:2) [M+K]+ 0.9971 0.9585 1.1207 0.9518 0.9975 0.8088 0.6228 1.1405 1.2381
TG (53:2) [M+Na]+ 0.9686 0.9569 1.1801 0.9692 1.0123 0.8366 0.4772 1.1661 1.0389
TG (53:2) [M+NH4]+ 0.9406 0.8990 1.1380 1.0452 1.0111 0.8605 0.3463 1.1499 1.1413
TG (53:3) [M+K]+ 0.9398 0.9453 1.1227 0.9664 1.0282 0.8903 0.6226 1.1019 1.1667
TG (53:3) [M+Na]+ 1.0032 0.9985 1.2503 1.0224 1.1285 0.9293 0.5340 1.0747 0.3192
TG (53:3) [M+NH4]+ 0.8624 0.8731 1.2225 1.1821 1.0741 1.0437 0.3513 1.1270 0.3910
TG (53:4) [M+K]+ 0.9477 0.9516 1.1739 0.9388 1.1005 0.9093 0.6699 1.0416 NA
TG (53:4) [M+Na]+ 0.9315 0.9446 1.2201 1.0637 1.1181 1.0272 0.5623 1.1422 0.2564
TG (53:4) [M+NH4]+ 0.8073 0.8076 1.1746 1.1166 1.0709 1.1141 0.3776 1.1216 0.7400
TG (54:0) [M+K]+ 1.1042 0.8970 1.1194 0.9811 0.9389 0.8977 0.9629 1.0508 1.0944
TG (54:0) [M+Na]+ 1.0928 0.8353 1.1765 0.9666 0.9509 0.8855 0.8760 1.0728 1.1557
TG (54:0) [M+NH4]+ 0.9530 0.6733 1.1784 1.0690 0.9283 0.8998 0.6666 1.1519 1.4917
TG (54:1) [M+K]+ 0.6883 0.7680 1.3421 0.9768 1.0752 0.8154 0.8294 1.2275 1.4265
TG (54:1) [M+Na]+ 0.6108 0.6713 1.3613 1.0862 1.0617 0.8604 0.7046 1.3043 1.3454
TG (54:1) [M+NH4]+ 0.4114 0.4551 1.2830 1.3210 0.9351 0.9862 0.4543 1.3600 1.7971
TG (54:2) [M+K]+ 0.8657 0.8878 1.2432 0.9835 1.1517 0.8926 0.8029 1.0922 0.8900
TG (54:2) [M+Na]+ 0.6957 0.7316 1.3356 1.0636 1.1476 0.8984 0.5986 1.2424 1.0088
TG (54:2) [M+NH4]+ 0.4624 0.5194 1.4356 1.1805 1.1345 0.9291 0.3674 1.4068 1.2270
TG (54:3) [M+K]+ 0.8212 0.8131 1.2850 1.0250 1.2131 0.9570 0.7543 1.1243 0.6625
TG (54:3) [M+Na]+ 0.7283 0.7488 1.4086 1.1265 1.2544 0.9594 0.6483 1.1745 0.3722
TG (54:3) [M+NH4]+ 0.6295 0.6467 1.4552 1.0150 1.2587 0.8537 0.4463 1.2922 1.0226
TG (54:4) [M+K]+ 0.7838 0.8183 1.2195 1.1140 1.1653 1.0648 0.8388 1.1152 0.5170
TG (54:4) [M+Na]+ 0.6719 0.6976 1.3221 1.0442 1.2143 0.9639 0.6091 1.2060 0.9797
TG (54:4) [M+NH4]+ 0.5412 0.5785 1.6268 1.1172 1.4321 0.9762 0.4043 1.2957 0.1674
TG (54:5) A [M+K]+ 0.6182 0.6728 1.3757 1.2249 1.2710 1.0928 0.6680 1.0760 0.4360
TG (54:5) A [M+Na]+ 0.5011 0.5609 1.3687 1.1838 1.2428 1.0609 0.4911 1.3040 0.8179
TG (54:5) A [M+NH4]+ 0.3779 0.4363 1.4529 1.2364 1.2630 1.0799 0.2727 1.4242 0.0845
TG (54:5) B [M+K]+ 0.7074 0.6865 0.8082 1.1135 0.9293 0.9990 0.9641 1.1411 2.3339
TG (54:5) B [M+Na]+ NA NA NA NA NA NA NA NA NA
TG (54:5) B [M+NH4]+ 0.8351 0.8068 1.2161 0.9611 1.2167 1.1874 0.6499 1.1779 0.3481
TG (54:6) A [M+K]+ 0.5145 0.6022 1.2556 1.2169 1.1572 1.0266 0.5568 1.2802 1.1250
TG (54:6) A [M+Na]+ 0.4757 0.5933 1.4581 1.3760 1.2772 0.8581 0.4133 1.4902 0.2905
TG (54:6) A [M+NH4]+ 0.4748 0.5987 1.8137 0.8648 1.5088 0.5631 0.2635 1.8578 0.3217
TG (54:6) B [M+K]+ 0.3353 0.4540 0.8646 1.5976 0.7150 1.3970 0.4184 1.4454 1.5869
TG (54:6) B [M+Na]+ 0.1921 0.1776 0.2667 2.4453 0.2986 2.1608 0.2853 0.3240 1.9471
TG (54:6) B [M+NH4]+ 0.1847 0.1941 0.3949 2.7459 0.3587 2.3035 0.1121 0.4285 1.0167
TG (54:6) C [M+K]+ 0.7160 0.7281 0.5498 0.9153 0.5717 0.9987 0.8551 1.0842 4.0063
TG (54:6) C [M+Na]+ 0.7503 0.7685 0.8655 0.8066 0.8919 0.8896 0.7385 1.1090 3.0400
TG (54:6) C [M+NH4]+ 0.5513 0.5104 0.9068 1.0280 0.9138 1.1382 0.3443 1.0434 3.0293
TG (54:7) A [M+K]+ 0.3113 0.3890 0.6595 1.8738 0.6098 1.6676 0.2722 1.4364 1.2388
TG (54:7) A [M+Na]+ 0.2115 0.2788 0.5057 2.2506 0.4479 1.8713 0.1483 1.4846 0.9832
TG (54:7) A [M+NH4]+ 0.2179 0.2990 0.5141 2.2991 0.4956 2.0410 0.1238 1.4745 0.3548
TG (54:7) B [M+K]+ 0.3321 0.3979 0.3779 1.1705 0.3740 1.3460 0.4125 1.0870 4.9984
TG (54:7) B [M+Na]+ 0.2745 0.2798 0.3240 1.6842 0.3247 1.7422 0.2236 1.2780 3.3102
TG (54:7) B [M+NH4]+ 0.2195 0.2165 0.2955 1.6206 0.2904 1.9752 0.1465 1.0426 3.7047
TG (54:8) [M+K]+ 0.1042 0.1095 0.1271 2.1572 0.1216 2.2551 0.0936 1.3950 0.6555
TG (54:8) [M+Na]+ 0.0495 0.0585 0.0618 2.4244 0.0563 2.3799 0.0521 1.4731 1.7161
TG (54:8) [M+NH4]+ 0.0344 0.0353 0.0693 2.2524 0.0463 2.0517 0.0153 0.9901 0.1561
TG (54:9) [M+K]+ 0.1852 0.1825 0.1935 2.0363 0.1884 2.6418 0.1977 1.3340 0.5093
TG (54:9) [M+Na]+ 0.0242 0.0323 0.0305 1.5062 0.0196 1.8793 NA 0.8503 0.2182
TG (54:9) [M+NH4]+ 0.0743 0.0648 0.0873 1.8798 0.0802 2.2512 0.0483 0.8909 0.2798
TG (55:1) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (55:1) [M+Na]+ 0.7809 0.7011 1.2280 1.1098 1.0476 0.9439 0.7150 1.1721 1.2078
TG (55:1) [M+NH4]+ 0.6559 0.6459 1.3514 1.1156 1.0382 0.9037 0.4748 1.2544 1.3433
TG (55:2) [M+K]+ 0.8625 0.8169 1.1598 1.0881 0.9887 0.9240 0.7363 1.1131 1.2259
TG (55:2) [M+Na]+ 0.7857 0.7855 1.2291 1.1302 0.9352 0.9063 0.5086 1.2540 1.1837
TG (55:2) [M+NH4]+ 0.8194 0.7925 1.1345 1.1458 0.9246 0.9820 0.5278 1.1887 1.2108
TG (55:3) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (55:3) [M+Na]+ 0.8640 0.8786 1.2561 1.0882 1.0763 0.9447 0.5274 1.1784 0.6110
TG (55:3) [M+NH4]+ 0.8002 0.8247 1.1581 1.1077 0.9916 0.9380 0.5029 1.1938 1.1747
TG (56:0) [M+K]+ 0.5299 0.5113 1.3720 1.1487 1.1391 0.9870 0.4917 1.3650 1.2122
TG (56:0) [M+Na]+ 0.7780 0.7235 1.2726 1.0422 1.0431 0.9497 0.7674 1.1655 1.2205
TG (56:0) [M+NH4]+ 0.7166 0.6357 1.2566 1.0918 1.0300 0.9569 0.6552 1.2286 1.3912
TG (56:10) [M+K]+ 0.3836 0.4243 0.3856 1.5759 0.4268 2.2519 0.3375 1.0690 1.5807
TG (56:10) [M+Na]+ 0.3037 0.3117 0.3036 1.6025 0.2974 2.3172 0.2596 1.0089 0.7006
TG (56:10) [M+NH4]+ 0.5456 0.5947 0.6789 1.4588 0.6546 2.0491 0.4332 1.0319 0.8783
TG (56:1) [M+K]+ 0.4192 0.4350 1.4748 1.1808 1.1711 0.9659 0.4119 1.3713 1.2571
TG (56:1) [M+Na]+ 0.3141 0.3283 1.4896 1.2585 1.1526 1.0207 0.3618 1.4475 1.3625
TG (56:1) [M+NH4]+ 0.2512 0.2467 1.3722 1.3519 1.0227 1.0714 0.2921 1.4455 1.8625
TG (56:2) [M+K]+ 0.3302 0.3665 1.1033 1.4206 0.9125 1.2345 0.3369 1.4329 1.7004
TG (56:2) [M+Na]+ 0.2680 0.2925 1.1738 1.5374 0.9440 1.2540 0.2651 1.4386 1.4889
TG (56:2) [M+NH4]+ 0.1808 0.1951 1.0145 1.7680 0.7801 1.3280 0.1796 1.4311 1.8830
TG (56:3) [M+K]+ 0.5124 0.5007 1.0126 1.5462 0.8322 1.3616 0.4155 1.2744 1.0648
TG (56:3) [M+Na]+ 0.3556 0.3577 0.9250 1.7276 0.7726 1.4068 0.2555 1.3602 1.3834
TG (56:3) [M+NH4]+ 0.2380 0.2618 0.7958 1.9779 0.6597 1.4902 0.1638 1.4569 1.4434
TG (56:4) [M+K]+ 0.5603 0.5900 0.8574 1.4228 0.8146 1.2325 0.3752 1.2648 1.6972
TG (56:4) [M+Na]+ 0.4420 0.4453 0.8359 2.0692 0.8212 1.4175 0.2989 0.9859 0.9143
TG (56:4) [M+NH4]+ 0.3332 0.3464 0.6640 1.8941 0.6233 1.4807 0.2376 1.4212 1.6510
TG (56:5) A [M+K]+ 0.8792 0.8967 1.0548 1.1093 1.0169 1.0383 0.7705 1.1185 0.8571
TG (56:5) A [M+Na]+ NA NA NA NA NA NA NA NA NA
TG (56:5) A [M+NH4]+ 0.4131 0.4258 0.7150 1.8405 0.7462 1.6041 0.3381 1.2075 1.1371
TG (56:5) B [M+K]+ 0.7652 0.7264 0.9183 1.2390 0.8607 1.3477 0.9116 0.9105 1.3836
TG (56:5) B [M+Na]+ 0.7479 0.7510 0.8732 1.3395 0.9163 1.3208 0.6419 1.2277 0.7274
TG (56:5) B [M+NH4]+ 0.6037 0.6222 0.8007 1.1464 0.5732 1.0519 0.2961 1.6791 2.4938
TG (56:5) C [M+K]+ 0.8959 0.8698 1.0052 1.0495 1.0618 0.9972 0.7638 1.0775 1.1813
TG (56:5) C [M+Na]+ 0.8342 0.8930 1.0864 0.8788 1.0547 0.8706 0.6804 1.2797 1.4526
TG (56:5) C [M+NH4]+ 0.7368 0.7819 1.1551 1.0501 1.1196 0.9551 0.4806 1.2919 1.0822
TG (56:6) [M+K]+ 0.9125 0.9450 1.0230 1.1210 1.0214 1.0578 0.7326 1.0433 0.7981
TG (56:6) [M+Na]+ 0.8932 0.9262 1.1036 1.0885 1.0736 1.0389 0.6230 1.0933 0.6673
TG (56:6) [M+NH4]+ 0.8304 0.8638 1.2079 1.0756 1.1897 1.0681 0.5377 1.1413 0.3939
TG (56:7) A [M+K]+ 1.0709 1.1541 0.8699 1.0331 0.9734 1.1818 0.9872 0.8775 0.5586
TG (56:7) A [M+Na]+ 0.8242 0.9047 0.9906 1.0654 1.0276 1.1693 0.6696 0.9684 1.1253
TG (56:7) A [M+NH4]+ 0.6336 0.6663 1.1408 1.1216 1.1378 1.2038 0.3894 1.2127 0.9756
TG (56:7) B [M+K]+ 0.9400 1.0128 1.0163 0.9449 0.9478 0.9063 0.5948 1.1022 1.4086
TG (56:7) B [M+Na]+ 0.8219 0.9176 0.9999 0.9617 0.9425 0.9505 0.5631 1.1305 1.6969
TG (56:7) B [M+NH4]+ 0.7236 0.7731 1.0072 1.0199 0.9410 0.9679 0.3855 1.2600 1.8892
TG (56:8) A [M+K]+ 0.8759 0.9902 0.9759 1.0917 1.0147 1.2630 0.9083 1.0167 0.4997
TG (56:8) A [M+Na]+ 0.7087 0.8402 1.0567 1.1396 1.0606 1.3588 0.6195 1.0865 0.5407
TG (56:8) A [M+NH4]+ 0.6465 0.7160 1.1821 1.2077 1.1781 1.1589 0.4325 1.1246 0.7192
TG (56:8) B [M+K]+ 1.0908 1.1814 1.1385 0.6840 1.1749 0.7298 0.9387 0.9048 1.2466
TG (56:8) B [M+Na]+ 0.9043 0.9900 1.0935 0.9272 1.1077 0.9930 0.6314 1.1145 0.8699
TG (56:8) B [M+NH4]+ 0.6936 0.7504 1.0509 1.2351 1.0043 1.2583 0.4151 1.2213 0.7289
TG (56:9) [M+K]+ 0.5150 0.5750 0.6606 1.3919 0.7163 1.8714 0.3268 1.1653 1.2422
TG (56:9) [M+Na]+ 0.4059 0.5359 0.6687 1.6056 0.6642 2.1237 0.1165 1.1212 0.7217
TG (56:9) [M+NH4]+ 0.4434 0.5249 0.6698 1.6242 0.6319 2.1930 0.4141 1.0448 0.6028
TG (57:1) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (57:1) [M+Na]+ 0.5065 0.5482 1.4956 1.1045 1.1503 0.9337 0.5071 1.3016 1.2209
TG (57:1) [M+NH4]+ 0.5052 0.5892 1.4316 1.1235 1.0991 0.9198 0.5955 1.2919 1.3506
TG (57:2) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (57:2) [M+Na]+ 0.6217 0.6168 1.3488 1.1927 1.1189 1.0217 0.4443 1.1669 1.0368
TG (57:2) [M+NH4]+ 0.4490 0.4835 1.3882 1.2166 1.0863 1.0131 0.3852 1.3186 1.3970
TG (58:0) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (58:0) [M+Na]+ NA NA NA NA NA NA NA NA NA
TG (58:0) [M+NH4]+ 0.7715 0.7675 1.2199 1.0403 1.0236 0.9174 0.7927 1.1515 1.3736
TG (58:10) [M+K]+ 0.9754 1.1581 1.0946 0.7961 1.1462 0.8924 1.0472 0.9645 0.9522
TG (58:10) [M+Na]+ 0.8221 0.9620 1.1168 0.9844 1.1200 1.1143 0.7922 1.0667 0.6833
TG (58:10) [M+NH4]+ 0.6997 0.7968 1.0077 1.2451 0.9822 1.2069 0.6721 1.2283 0.7737
TG (58:1) [M+K]+ 0.5057 0.4080 1.4285 1.1193 1.1512 0.9114 0.3927 1.3417 1.4707
TG (58:1) [M+Na]+ 0.3815 0.3734 1.5420 1.1760 1.1942 0.9328 0.4080 1.3987 1.3845
TG (58:1) [M+NH4]+ 0.3441 0.3358 1.5482 1.1816 1.2015 0.9246 0.3802 1.3638 1.5818
TG (58:2) [M+K]+ 0.3067 0.2983 1.2157 1.5152 0.9598 1.2207 0.3427 1.4132 1.3604
TG (58:2) [M+Na]+ 0.2003 0.1909 1.0939 1.7007 0.8283 1.3584 0.2352 1.4655 1.6132
TG (58:2) [M+NH4]+ 0.1613 0.1515 0.9019 1.7625 0.6724 1.3507 0.1772 1.3866 2.1551
TG (58:3) [M+K]+ 0.2084 0.2197 0.8204 1.7883 0.6724 1.4971 0.2262 1.4288 1.9553
TG (58:3) [M+Na]+ 0.1416 0.1449 0.8645 1.9274 0.6856 1.5330 0.1637 1.4221 1.7768
TG (58:3) [M+NH4]+ 0.1155 0.1130 0.7232 2.1278 0.5570 1.5472 0.1434 1.3314 2.1160
TG (58:4) [M+K]+ 0.2403 0.2506 0.4349 2.0868 0.3924 1.6971 0.2625 1.4399 1.9577
TG (58:4) [M+Na]+ 0.1207 0.1342 0.4043 2.3546 0.3432 1.8485 0.1210 1.4435 1.7879
TG (58:4) [M+NH4]+ 0.0950 0.1150 0.1689 2.9458 0.1594 2.1143 0.0935 1.5106 0.5589
TG (58:5) [M+K]+ 0.4352 0.4489 0.5258 1.8504 0.5304 1.5358 0.3993 1.3617 1.7215
TG (58:5) [M+Na]+ 0.3072 0.3159 0.3875 2.2068 0.3739 1.7347 0.2673 1.3327 1.7109
TG (58:5) [M+NH4]+ 0.1918 0.1897 0.2789 2.4091 0.2473 1.8419 0.1834 1.4766 1.7950
TG (58:6) [M+K]+ 0.6224 0.6652 0.7191 1.5011 0.7248 1.3196 0.5493 1.2780 1.4439
TG (58:6) [M+Na]+ 0.6087 0.6473 0.7296 1.8028 0.7016 1.5243 0.5026 1.3320 0.3445
TG (58:6) [M+NH4]+ 0.4941 0.4359 0.5437 2.1183 0.5186 1.6948 0.2094 1.4366 0.5991
TG (58:8) [M+K]+ 0.9287 1.0558 1.2133 0.8810 1.0916 0.8560 0.8373 1.1000 0.8612
TG (58:8) [M+Na]+ 0.8829 1.0048 1.2566 1.0184 1.1858 0.9488 0.6558 1.1609 0.2173
TG (58:8) [M+NH4]+ 0.7323 0.8079 1.1541 1.1070 1.0997 1.0184 0.4541 1.3203 0.7713
TG (58:9) [M+K]+ 1.0904 1.2152 1.3643 0.6477 1.3703 0.6656 1.0750 0.8208 0.6591
TG (58:9) [M+Na]+ 0.9381 1.0660 1.2992 0.9350 1.2684 0.9380 0.8371 1.0508 0.0740
TG (58:9) [M+NH4]+ 0.6636 0.7399 1.0710 1.3397 1.0564 1.3690 0.4965 1.2597 0.1163
TG (59:2) [M+K]+ 0.4928 0.4981 1.2579 1.2663 1.0510 1.2114 0.4946 1.2587 0.7824
TG (59:2) [M+Na]+ 0.4358 0.4391 1.6011 1.1145 1.2830 0.8919 0.3859 1.3543 1.1361
TG (59:2) [M+NH4]+ 0.4315 0.4191 1.5206 1.0764 1.2463 0.9116 0.3839 1.3055 1.1887
TG (59:3) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (59:3) [M+Na]+ 0.4340 0.4563 1.4733 1.2237 1.2645 0.9977 0.4036 1.3301 0.8456
TG (59:3) [M+NH4]+ 0.3586 0.3639 1.3841 1.2994 1.1848 1.0563 0.3745 1.3683 1.2979
TG (60:1) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (60:1) [M+Na]+ 0.5529 0.4946 1.5459 1.1058 1.1155 0.8825 0.1388 1.3279 1.3119
TG (60:1) [M+NH4]+ 0.4910 0.4598 1.4871 1.1202 1.1526 0.8577 0.4458 1.3115 1.5881
TG (60:2) [M+K]+ 0.3757 0.3552 1.2087 1.4279 0.9514 1.1115 0.4327 1.3310 1.6193
TG (60:2) [M+Na]+ 0.2805 0.2558 1.2784 1.4821 0.9850 1.1568 0.2966 1.4150 1.6206
TG (60:2) [M+NH4]+ 0.2596 0.2322 1.2835 1.4998 0.9888 1.1266 0.2629 1.3805 1.7860
TG (60:3) [M+K]+ 0.2752 0.2554 0.9376 1.7596 0.7803 1.4200 0.2877 1.3717 1.4557
TG (60:3) [M+Na]+ 0.1513 0.1483 0.7715 2.0188 0.6352 1.5935 0.1721 1.4319 1.6851
TG (60:3) [M+NH4]+ 0.1180 0.1098 0.6290 2.1123 0.5068 1.5897 0.1277 1.3581 2.3080
TG (60:4) [M+K]+ 0.1309 0.1593 0.3397 2.0832 0.3000 1.7840 0.1353 1.4915 2.1750
TG (60:4) [M+Na]+ 0.0867 0.0931 0.2799 2.3673 0.2412 1.9280 0.0972 1.5319 2.0595
TG (60:4) [M+NH4]+ 0.0795 0.0830 0.2357 2.4835 0.2102 1.8693 0.0705 1.3820 1.6589
TG (60:5) [M+K]+ 0.2008 0.1996 0.2843 2.1676 0.2745 1.7000 0.1724 1.4547 1.8966
TG (60:5) [M+Na]+ 0.1061 0.1055 0.1701 2.5835 0.1621 2.0480 0.0800 1.4840 0.7522
TG (60:5) [M+NH4]+ 0.1549 0.1585 0.2542 2.5204 0.2347 1.7908 0.1443 1.3519 2.0125
TG (60:6) [M+K]+ 0.2917 0.2849 0.2801 2.0501 0.2958 1.7565 0.2764 1.3035 1.8087
TG (60:6) [M+Na]+ 0.1720 0.1798 0.1996 2.3770 0.1950 1.9957 0.1732 1.4805 1.8477
TG (60:6) [M+NH4]+ 0.1845 0.1962 0.2378 2.3160 0.2201 1.8956 0.2373 1.4416 1.9023
TG (62:1) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (62:1) [M+Na]+ NA NA NA NA NA NA NA NA NA
TG (62:1) [M+NH4]+ NA NA NA NA NA NA NA NA NA
TG (62:2) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (62:2) [M+Na]+ 0.3714 0.3208 1.0331 1.5694 0.7712 1.2171 0.3545 1.3569 1.7038
TG (62:2) [M+NH4]+ 0.3232 0.2632 1.0337 1.5985 0.8628 1.2284 0.0867 1.3499 1.9114
TG (62:3) [M+K]+ 0.4606 0.4153 0.6320 1.8272 0.6462 1.3313 0.6603 1.1728 1.7433
TG (62:3) [M+Na]+ 0.1976 0.2136 0.5294 2.1528 0.4548 1.6801 0.2246 1.4278 1.8047
TG (62:3) [M+NH4]+ 0.2071 0.1711 0.5715 2.0924 0.4850 1.6022 0.1628 1.3644 1.9908
TG (62:4) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (62:4) [M+Na]+ 0.2003 0.1777 0.3566 2.2335 0.3135 1.8265 0.1926 1.4922 1.8301
TG (62:4) [M+NH4]+ 0.2171 0.1698 0.3187 2.0721 0.2979 1.5704 0.1626 1.3349 2.1216
TG (64:2) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (64:2) [M+Na]+ 1.0030 1.0066 1.0229 0.9879 0.9981 0.9901 0.9456 1.0217 0.9620
TG (64:2) [M+NH4]+ 0.9424 0.9764 0.9728 0.9539 0.9804 0.9918 0.9839 1.0708 1.2702
TG (64:3) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (64:3) [M+Na]+ 0.1922 0.1994 0.2818 1.9681 0.3095 1.4854 0.2051 1.1836 1.2973
TG (64:3) [M+NH4]+ 0.2133 0.2417 0.3322 1.9970 0.2868 1.4961 0.1544 1.2007 1.7824
TG (64:4) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (64:4) [M+Na]+ 0.2474 0.2087 0.2455 2.0594 0.2598 1.6725 0.2897 1.2955 1.5886
TG (64:4) [M+NH4]+ 0.3179 0.2797 0.4028 1.8705 0.3272 1.5391 0.3858 1.2311 1.6701
Run Hierarchial cluster analysis on this study | Run Heatmap cluster analysis on this study

Factors:

F1Collection Time (hours):0-h | Phenotype:CF
F2Collection Time (hours):0-h | Phenotype:GF
F3Collection Time (hours):2-h | Phenotype:CF
F4Collection Time (hours):2-h | Phenotype:GF
F5Collection Time (hours):4-h | Phenotype:CF
F6Collection Time (hours):4-h | Phenotype:GF
F7Collection Time (hours):NIST | Phenotype:NIST
F8Collection Time (hours):QC | Phenotype:QC
F9Collection Time (hours):Rep | Phenotype:Rep
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