Data for Validating Quantitative Untargeted Lipidomics Across Nine Liquid Chromatography−High-Resolution Mass Spectrometry Platforms (part III) (Study ST000985)

(Analysis AN001611)

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

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

MetaboliteF1F2F3F4F5F6F7F8F9
1_CE (22:1) [2M+Na]+ ISTD 1.0171 1.0174 1.0211 1.0050 1.0053 0.9972 0.9890 0.9713 0.9180
1_CE (22:1) [2M+NH4]+ ISTD 1.0135 1.0203 1.0321 1.0035 1.0065 0.9949 1.0082 0.9588 0.9176
1_CE (22:1) [Chol-head -H2O+H]+ ISTD 1.0239 1.0264 1.0521 1.0088 0.9939 0.9933 0.9877 0.9421 0.8932
1_CE (22:1) [M+Chol-head -H2O+H]+ ISTD 1.0254 1.0380 1.0384 1.0084 1.0100 0.9928 0.9743 0.9406 0.8659
1_CE (22:1) [M+Na]+ ISTD 1.0157 1.0179 1.0219 1.0125 1.0046 0.9899 0.9586 0.9781 0.9151
1_CE (22:1) [M+NH4]+ ISTD 1.0260 1.0276 1.0310 1.0082 0.9989 0.9893 0.9908 0.9654 0.8924
1_Cer (d18:1/17:0) [M+H-H2O]+ ISTD 1.0100 1.0243 1.0419 1.0115 0.9886 1.0038 1.0077 0.9431 0.9227
1_Cer (d18:1/17:0) [M+H]+ ISTD 1.0161 1.0223 1.0306 1.0094 0.9962 0.9990 1.0198 0.9484 0.9252
1_Cer (d18:1/17:0) [M+Na]+ ISTD 1.0099 1.0182 1.0261 1.0065 0.9951 1.0060 0.9978 0.9598 0.9357
1_Cholesterol d7 [M-H2O+H]+ ISTD 1.0293 1.0266 1.0493 0.9876 0.9848 1.0106 0.8245 0.9894 0.8779
1_CUDA [M+H]+ ISTD 1.0238 1.0293 1.0275 1.0126 0.9938 0.9831 1.0257 0.9425 0.9431
1_DG (12:0/12:0/0:0) [M+K]+ ISTD 1.0485 1.0377 1.0513 1.0135 1.0281 0.9638 1.0200 0.9311 0.8123
1_DG (12:0/12:0/0:0) [M+Na]+ ISTD 1.0254 1.0454 1.0587 1.0092 1.0108 0.9897 0.9412 0.9098 0.8670
1_DG (12:0/12:0/0:0) [M+NH4]+ ISTD 1.0083 1.0448 1.0310 0.9903 1.0093 0.9979 0.9516 0.9501 0.9219
1_DG (18:1/2:0/0:0) [M+K]+ ISTD 1.0126 1.0126 1.0130 1.0046 1.0053 0.9932 0.9596 0.9872 0.9441
1_DG (18:1/2:0/0:0) [M+Na]+ ISTD 1.0139 1.0236 1.0289 1.0128 0.9967 1.0006 0.9600 0.9487 0.9298
1_DG (18:1/2:0/0:0) [M+NH4]+ ISTD 1.0101 1.0323 0.9972 0.9750 1.0140 1.0060 1.0181 1.0003 0.9278
1_LPC (17:0) [M+H]+ ISTD 1.0137 1.0313 1.0477 1.0117 0.9949 0.9927 0.9567 0.9365 0.9201
1_LPE (17:1) [M+H]+ ISTD 1.0080 1.0269 1.0352 1.0117 1.0012 1.0088 0.9591 0.9282 0.9280
1_MG (17:0/0:0/0:0) [M+H]+ ISTD 1.0657 1.0384 1.0597 0.9866 1.0120 0.9366 1.0054 0.9718 0.8561
1_MG (17:0/0:0/0:0) [M+Na]+ ISTD 1.0077 1.0278 1.0315 0.9953 0.9759 0.9831 0.9941 1.0133 0.9477
1_PC (12:0/13:0) [M+H]+ ISTD 1.0158 1.0398 1.0430 1.0229 0.9905 0.9846 0.9716 0.9386 0.9051
1_PE (17:0/17:0) [M+H]+ ISTD 0.9979 1.0227 1.0396 1.0078 0.9994 0.9976 0.9887 0.9643 0.9248
1_SM (d18:1/17:0) [M+H]+ ISTD 1.0072 1.0310 1.0500 0.9996 0.9939 1.0115 0.8525 0.9722 0.8841
1_Sphingosine (d17:1) [M+H]+ ISTD 1.0047 1.0223 1.0307 1.0179 0.9925 0.9961 0.9583 0.9746 0.9167
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]+ 1.0216 1.0352 1.0484 1.0247 1.0034 0.9923 1.0141 0.9033 0.8870
1_TG d5 (17:0/17:1/17:0) ISTD [M+NH4]+ 0.9874 1.0701 1.0247 0.9758 1.0387 0.9428 0.8097 0.9733 1.0076
Acylcarnitine (C10:0) [M+H]+ 1.3831 0.9022 1.0010 1.3273 0.6303 0.9589 0.5386 0.8167 0.9781
Acylcarnitine (C10:1) [M+H]+ 1.1566 0.5864 1.2137 1.3172 0.9388 1.3440 0.5842 0.5633 0.5047
Acylcarnitine (C12:0) [M+H]+ 1.1416 0.9211 1.0477 1.4747 0.7322 0.9679 0.4719 0.6466 0.8179
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]+ 0.8162 1.0005 1.0081 0.9666 1.1031 1.1494 0.4298 0.9834 1.0071
Acylcarnitine (C18:1) [M+H]+ 1.1022 0.9718 1.0644 1.1132 0.8925 0.9539 0.9370 0.9405 0.9139
Acylcarnitine (C18:2) [M+H]+ NA NA NA NA NA NA NA NA NA
Acylcarnitine (C18:3) [M+H]+ NA NA NA NA NA NA NA NA NA
Acylcarnitine (C8:0) [M+H]+ 1.2283 0.9153 1.0967 1.1521 0.9832 1.0093 0.7757 0.5988 0.8480
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]+ 1.0854 0.9852 1.0134 1.0438 0.9516 1.0013 0.9519 1.0264 0.8094
CE (16:0) [2M+NH4]+ 1.0535 1.0259 1.0560 0.9990 0.9646 0.9862 0.8376 1.0615 0.7797
CE (16:0) [Chol-head -H2O+H]+ 1.0447 1.0813 1.1148 0.9700 0.9824 0.9846 0.6533 0.9989 0.7282
CE (16:0) [M+Chol-head -H2O+H]+ 1.0324 1.0572 0.9915 0.9969 0.9966 0.9522 0.9276 1.0820 0.8488
CE (16:0) [M+Na]+ 1.1481 1.0586 0.9003 1.0656 0.8968 0.9786 1.2791 1.0551 0.7770
CE (16:0) [M+NH4]+ 1.0385 1.0432 1.0489 1.0397 0.9829 1.0143 0.6716 1.1034 0.5680
CE (16:1) [2M+Na]+ 1.0209 1.0176 1.0287 1.0237 0.9907 1.0042 0.9636 1.0889 0.6988
CE (16:1) [2M+NH4]+ 1.0764 1.0109 1.0916 0.9336 0.9684 1.0138 0.6451 1.0685 0.7958
CE (16:1) [Chol-head -H2O+H]+ NA NA NA NA NA NA NA NA NA
CE (16:1) [M+Chol-head -H2O+H]+ 1.0162 0.9033 1.0163 1.0766 1.1131 1.1021 1.0647 0.8374 0.6546
CE (16:1) [M+Na]+ 1.1517 1.0391 0.9612 0.9122 1.0374 1.0068 0.9620 1.0763 0.6853
CE (16:1) [M+NH4]+ 0.8720 1.0527 0.9924 0.8590 1.1236 1.0936 1.1030 1.0563 0.8898
CE (18:0) [2M+Na]+ NA NA NA NA NA NA NA NA NA
CE (18:0) [2M+NH4]+ NA NA NA NA NA NA NA NA NA
CE (18:0) [Chol-head -H2O+H]+ NA NA NA NA NA NA NA NA NA
CE (18:0) [M+Chol-head -H2O+H]+ NA NA NA NA NA NA NA NA NA
CE (18:0) [M+Na]+ NA NA NA NA NA NA NA NA NA
CE (18:0) [M+NH4]+ NA NA NA NA NA NA NA NA NA
CE (18:1) [2M+Na]+ 1.1064 1.0003 1.0456 1.0492 0.9432 0.9869 0.8534 0.9926 0.7814
CE (18:1) [2M+NH4]+ 1.0979 1.0915 1.0942 0.9862 0.9529 0.9666 0.6759 0.9938 0.7144
CE (18:1) [Chol-head -H2O+H]+ NA NA NA NA NA NA NA NA NA
CE (18:1) [M+Chol-head -H2O+H]+ 1.0575 1.0987 1.1141 0.9563 0.9639 1.0042 0.6702 0.9979 0.6948
CE (18:1) [M+Na]+ 1.0838 1.0044 1.0240 1.0531 0.9422 0.9894 0.8947 1.0115 0.8130
CE (18:1) [M+NH4]+ 1.0646 1.0695 1.0814 0.9791 0.9718 0.9780 0.7407 1.0236 0.7417
CE (18:2) [2M+Na]+ 1.0691 0.9819 0.9989 1.0666 0.9794 1.0074 1.0515 0.9623 0.8290
CE (18:2) [2M+NH4]+ 1.0678 1.0335 1.0575 1.0312 0.9638 0.9878 0.8520 0.9935 0.7595
CE (18:2) [Chol-head -H2O+H]+ 1.0557 1.0472 1.0866 1.0099 0.9796 1.0019 0.7500 0.9735 0.7298
CE (18:2) [M+Chol-head -H2O+H]+ 1.0535 1.0633 1.0897 1.0026 0.9713 1.0052 0.7360 0.9792 0.7170
CE (18:2) [M+Na]+ 1.0596 0.9814 1.0057 1.0706 0.9777 1.0018 1.0340 0.9722 0.8312
CE (18:2) [M+NH4]+ 1.0637 1.0349 1.0582 1.0221 0.9719 1.0008 0.8416 0.9754 0.7663
CE (18:3) [2M+Na]+ 1.0283 0.9125 0.9704 1.0840 0.9820 1.1484 0.6346 1.0421 0.7156
CE (18:3) [2M+NH4]+ NA NA NA NA NA NA NA NA NA
CE (18:3) [Chol-head -H2O+H]+ 0.9815 1.1337 0.9434 0.9589 0.9901 1.2145 0.7054 0.7750 0.9196
CE (18:3) [M+Chol-head -H2O+H]+ NA NA NA NA NA NA NA NA NA
CE (18:3) [M+Na]+ 1.0399 0.9096 0.9095 1.1180 0.9723 1.1296 0.8443 1.0284 0.7868
CE (18:3) [M+NH4]+ NA NA NA NA NA NA NA NA NA
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]+ NA NA NA NA NA NA NA NA NA
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]+ 1.3267 0.9537 1.0135 1.2777 0.9915 1.0353 1.3913 0.4414 0.5019
CE (20:3) [M+NH4]+ 1.1745 0.9825 0.9731 1.0601 0.9169 1.0572 0.8607 0.8907 0.8563
CE (20:4) [2M+Na]+ 1.1622 1.0932 1.0995 1.0720 0.9042 0.8895 0.8720 0.9612 0.6696
CE (20:4) [2M+NH4]+ 1.0536 1.1260 1.1276 0.9862 0.9452 0.9890 0.6389 0.9656 0.6849
CE (20:4) [Chol-head -H2O+H]+ 1.0222 1.0984 1.1227 0.9685 0.9735 1.0037 0.7293 0.9661 0.7379
CE (20:4) [M+Chol-head -H2O+H]+ NA NA NA NA NA NA NA NA NA
CE (20:4) [M+Na]+ 1.1610 1.0726 1.0902 1.0736 0.9009 0.8918 0.9085 0.9697 0.7103
CE (20:4) [M+NH4]+ 1.0583 1.0911 1.1014 0.9707 0.9790 0.9913 0.6853 0.9796 0.7215
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]+ 0.8844 1.1615 1.2590 0.9502 1.0220 1.0395 NA 0.9732 0.5080
CE (20:5) [M+Chol-head -H2O+H]+ NA NA NA NA NA NA NA NA NA
CE (20:5) [M+Na]+ 1.0558 0.9813 0.9977 1.1493 0.9944 0.9935 0.6746 1.0425 0.6297
CE (20:5) [M+NH4]+ NA NA NA NA NA NA NA NA NA
CE (22:2) [2M+Na]+ NA NA NA NA NA NA NA NA NA
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]+ NA NA NA NA NA NA NA NA NA
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]+ NA NA NA NA NA NA NA NA NA
CE (22:6) [M+Chol-head -H2O+H]+ NA NA NA NA NA NA NA NA NA
CE (22:6) [M+Na]+ 0.9728 0.9952 0.9861 1.0724 1.0186 0.9386 0.8284 1.0637 0.9654
CE (22:6) [M+NH4]+ NA NA NA NA NA NA NA NA NA
Cer (d34:1) [M+H]+ NA NA NA NA NA NA NA NA NA
Cer (d34:1) [M+H-H2O]+ NA NA NA NA NA NA NA NA NA
Cer (d34:1) [M+Na]+ 1.0293 1.0660 1.0398 0.9027 0.9712 0.9925 0.5795 1.1010 0.9562
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]+ 0.8111 1.0696 1.2636 1.0067 0.9456 0.9913 1.1570 1.1455 0.5861
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]+ 1.0175 1.2097 1.0801 0.8688 1.0269 1.0162 0.2339 0.8408 0.9713
Cer (d40:1) [M+H]+ 0.9995 1.1241 1.0855 0.9212 0.9609 0.9983 0.6801 0.9938 0.9181
Cer (d40:1) [M+H-H2O]+ 0.9574 1.1604 1.1241 0.9499 1.0275 0.9037 0.5148 0.9958 0.8808
Cer (d40:1) [M+Na]+ 1.0137 1.1199 1.1106 0.9225 0.9893 0.9563 0.6128 1.0048 0.8719
Cer (d41:1) [M+H]+ 0.9239 1.1103 1.0745 0.9973 1.0114 1.0266 0.4264 0.9665 0.8700
Cer (d41:1) [M+H-H2O]+ 0.9767 1.1211 1.0788 0.9453 1.0134 0.9901 0.2656 1.0032 0.9018
Cer (d41:1) [M+Na]+ 0.9936 1.0998 1.0855 0.9496 0.9999 0.9888 0.5903 0.9933 0.8700
Cer (d42:1) [M+H]+ 1.0090 1.0931 1.0837 0.9581 0.9777 0.9620 0.7252 0.9946 0.9161
Cer (d42:1) [M+H-H2O]+ 1.0088 1.0693 1.0877 0.9533 0.9891 0.9936 0.7517 0.9754 0.8959
Cer (d42:1) [M+Na]+ 1.0169 1.0882 1.0900 0.9611 0.9717 0.9932 0.7224 0.9710 0.8714
Cer (d42:2) A [M+H]+ 0.9569 1.0885 0.9871 0.9051 1.0359 1.1072 0.7051 1.0400 0.8281
Cer (d42:2) A [M+H-H2O]+ 1.0329 1.0049 0.9061 1.0678 1.0042 1.0833 0.8315 0.9976 0.8077
Cer (d42:2) A [M+Na]+ 0.9508 1.0433 1.0114 0.9489 1.0345 1.0757 0.6320 1.0658 0.8338
Cer (d42:2) B [M+H]+ NA NA NA NA NA NA NA NA NA
Cer (d42:2) B [M+H-H2O]+ 1.0069 1.0342 1.0337 0.9822 1.0003 0.9858 0.9700 0.9596 0.9866
Cer (d42:2) B [M+Na]+ 1.0163 1.0734 1.0966 0.9563 0.9826 0.9953 0.6329 0.9574 0.9095
Cholesterol [M-H2O+H]+ 0.9929 1.0816 1.1027 0.9419 0.9801 1.0339 0.5867 1.0239 0.7896
DG (32:0) [M+K]+ NA NA NA NA NA NA NA NA NA
DG (32:0) [M+Na]+ NA NA NA NA NA NA NA NA NA
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]+ NA NA NA NA NA NA NA NA NA
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]+ NA NA NA NA NA NA NA NA NA
DG (34:0) [M+NH4]+ NA NA NA NA NA NA NA NA NA
DG (34:1) [M+K]+ NA NA NA NA NA NA NA NA NA
DG (34:1) [M+Na]+ 0.8056 1.2507 1.0863 0.8673 1.0005 0.9204 0.9669 0.8791 1.3686
DG (34:1) [M+NH4]+ NA NA NA NA NA NA NA NA NA
DG (34:2) [M+K]+ NA NA NA NA NA NA NA NA NA
DG (34:2) [M+Na]+ 0.6644 1.1679 1.1667 0.7845 1.0516 0.9332 NA 0.8454 1.2703
DG (34:2) [M+NH4]+ NA NA NA NA NA NA NA NA NA
DG (34:3) [M+K]+ NA NA NA NA NA NA NA NA NA
DG (34:3) [M+Na]+ NA NA NA NA NA NA NA NA NA
DG (34:3) [M+NH4]+ NA NA NA NA NA NA NA NA NA
DG (36:0) [M+K]+ NA NA NA NA NA NA NA NA NA
DG (36:0) [M+Na]+ NA NA NA NA NA NA NA NA NA
DG (36:0) [M+NH4]+ NA NA NA NA NA NA NA NA NA
DG (36:1) [M+K]+ NA NA NA NA NA NA NA NA NA
DG (36:1) [M+Na]+ NA NA NA NA NA NA NA NA NA
DG (36:1) [M+NH4]+ NA NA NA NA NA NA NA NA NA
DG (36:2) [M+K]+ NA NA NA NA NA NA NA NA NA
DG (36:2) [M+Na]+ 0.8459 1.1659 1.1505 0.9028 0.9680 0.9295 0.1953 1.0382 1.2182
DG (36:2) [M+NH4]+ NA NA NA NA NA NA NA NA NA
DG (36:3) [M+K]+ 0.6993 1.2067 1.2100 0.7621 0.9520 0.9956 0.3466 1.1654 1.2892
DG (36:3) [M+Na]+ 0.7696 1.1800 1.1713 0.8358 1.0012 1.0185 0.6187 0.9888 1.1691
DG (36:3) [M+NH4]+ 0.7669 1.1984 1.2416 0.7976 1.0019 0.9580 0.5961 1.0170 1.1747
DG (36:4) A [M+K]+ NA NA NA NA NA NA NA NA NA
DG (36:4) A [M+Na]+ 0.6905 1.1206 1.2179 0.7808 1.0398 1.1726 0.4354 0.8089 1.3564
DG (36:4) A [M+NH4]+ 0.8113 1.1082 1.0245 0.7613 1.0700 1.2194 0.6205 0.7863 1.3780
DG (36:4) B [M+K]+ NA NA NA NA NA NA NA NA NA
DG (36:4) B [M+Na]+ 0.5848 0.7198 0.5061 0.6068 1.3336 2.0124 0.3966 1.0088 0.7036
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]+ 0.6906 0.5427 0.7902 0.5686 1.0819 1.4242 0.5753 0.7783 0.8203
DG (36:5) [M+NH4]+ 0.9611 0.9592 0.9700 0.9998 1.0543 1.0658 0.9648 1.0067 0.9526
DG (36:6) [M+K]+ NA NA NA NA NA NA NA NA NA
DG (36:6) [M+Na]+ NA NA NA NA NA NA NA NA NA
DG (36:6) [M+NH4]+ NA NA NA NA NA NA NA NA NA
DG (38:5) [M+K]+ NA NA NA NA NA NA NA NA NA
DG (38:5) [M+Na]+ 1.0172 1.1358 1.2359 0.7922 0.9464 1.1459 0.3545 0.8661 0.8475
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]+ 0.8723 1.1588 1.2760 0.8236 0.9305 1.0405 0.8518 0.9347 0.9077
DG (38:6) [M+NH4]+ NA NA NA NA NA NA NA NA NA
Hex2Cer (d34:1) [M+H]+ NA NA NA NA NA NA NA NA NA
Hex2Cer (d34:1) [M-H2O+H]+ NA NA NA NA NA NA NA NA NA
Hex2Cer (d34:1) [M+Na]+ NA NA NA NA NA NA NA NA NA
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]+ 1.0568 0.9080 0.9518 0.9861 1.0311 1.0886 0.8248 1.0448 0.9017
HexCer (d42:1) [M+H]+ NA NA NA NA NA NA NA NA NA
HexCer (d42:1) [M-H2O+H]+ NA NA NA NA NA NA NA NA NA
HexCer (d42:1) [M+Na]+ 1.0168 1.0080 1.0590 1.0068 1.0044 1.0070 0.8521 0.9862 0.8427
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]+ 1.0587 1.0091 1.0036 1.0237 0.9719 1.0294 0.8752 1.0036 0.8292
LPC (14:0) [M+H]+ 0.9817 1.0693 1.0233 0.9843 1.0399 0.9946 0.8516 0.9518 0.9120
LPC (15:0) [M+H]+ 1.0299 1.0559 1.0578 0.9876 1.0166 1.0023 0.3007 1.0254 0.8002
LPC (16:0) [M+H]+ 0.9979 1.0578 0.9783 1.0243 1.0454 0.9663 1.0932 1.0123 0.8155
LPC (16:1) [M+H]+ 0.9874 1.0232 0.9274 1.0840 1.0477 0.9480 1.4031 1.0244 0.8316
LPC (18:0) [M+H]+ 1.0167 1.0435 0.9929 1.0369 1.0276 0.9694 1.1086 0.9878 0.8157
LPC (18:1) [M+H]+ 1.0708 1.0442 0.9790 1.1045 1.0240 0.9408 0.8864 0.9615 0.7402
LPC (18:2) [M+H]+ 0.9148 1.0822 1.0128 1.0128 1.1091 1.0541 0.6659 0.9656 0.7116
LPC (18:3) [M+H]+ 0.4654 0.5370 0.4108 0.4667 1.5690 2.4836 0.4215 1.0045 0.9400
LPC (20:3) [M+H]+ 1.0860 1.0205 0.9245 1.1217 1.0008 0.9442 0.8516 0.9658 0.8724
LPC (20:4) [M+H]+ 1.0984 1.0442 0.9261 1.1182 1.0195 0.9186 0.9181 0.9844 0.7786
LPC (20:5) [M+H]+ 0.9533 1.0770 0.7555 1.1790 1.1006 0.9662 0.4334 1.2313 0.6537
LPC (22:5) [M+H]+ 1.1561 0.8610 0.8470 1.3759 1.0827 0.9384 1.2786 0.8786 0.5247
LPE (18:0) [M+H]+ NA NA NA NA NA NA NA NA NA
LPE (18:2) [M+H]+ 0.6209 1.2168 1.1721 0.5884 1.1898 1.1395 0.7085 1.2070 0.9089
LPE (20:4) [M+H]+ 0.6013 1.1531 0.9877 0.7578 1.4260 1.1019 0.1442 1.4334 0.4082
LPE (22:3) [M+H]+ 1.1699 0.8467 1.2140 0.9794 0.8779 0.9955 0.6899 0.9748 0.9503
LPE (22:6) [M+H]+ 0.8545 1.0477 1.0602 1.2159 0.9538 1.0166 1.0205 0.9667 0.7172
PC (28:0) [M+H]+ 0.7373 1.0366 1.2137 0.7783 1.0172 1.2496 0.6431 1.0192 0.9417
PC (30:0) [M+H]+ 1.0168 1.0405 1.0556 0.9915 0.9810 1.0306 0.5789 0.9539 0.9207
PC (31:0) [M+H]+ 1.0245 1.0689 1.0495 0.9988 1.0019 0.9975 0.4728 0.9757 0.8601
PC (31:1) [M+H]+ NA NA NA NA NA NA NA NA NA
PC (32:0) [M+H]+ 0.9274 1.0294 1.0861 0.9902 1.0223 1.0537 0.5773 1.0092 0.8393
PC (32:1) [M+H]+ 0.9448 1.0076 1.0134 0.9927 1.0152 1.0094 1.0462 1.0724 0.9127
PC (32:2) [M+H]+ 0.9653 1.0439 1.1038 0.9456 0.9801 1.0628 0.5649 0.9455 0.9680
PC (33:0) [M+H]+ 1.0459 1.0599 1.0344 0.9836 1.0015 0.9868 0.4704 1.0092 0.8737
PC (33:1) [M+H]+ 0.9949 1.0707 1.0645 0.9692 1.0100 1.0113 0.5064 1.0126 0.8408
PC (33:2) [M+H]+ 0.9607 1.0750 1.1088 0.9595 1.0158 1.0501 0.4008 0.9646 0.8279
PC (34:0) [M+H]+ 1.0027 1.0311 1.0775 0.9837 1.0011 1.0359 0.6234 0.9984 0.8098
PC (34:1) [M+H]+ 0.9637 1.0284 1.0528 0.9807 1.0015 1.0267 0.7762 1.0397 0.8759
PC (34:2) [M+H]+ 0.9438 1.0186 1.0480 0.9699 1.0133 1.0461 0.8190 1.0199 0.9211
PC (34:3) A [M+H]+ 0.8192 0.9483 1.1192 0.9580 0.9692 1.1088 0.8446 1.1709 0.9218
PC (34:3) B [M+H]+ 0.9375 1.0432 1.0208 0.9813 1.0306 1.0507 0.7054 0.9916 0.9308
PC (34:3) C [M+H]+ 0.3268 0.4595 0.5612 0.4363 1.4391 2.4966 0.0367 1.1596 1.2401
PC (34:4) [M+H]+ 0.9801 1.0533 1.0943 0.9428 0.9735 1.0244 0.5988 0.9672 1.0046
PC (35:1) [M+H]+ 0.9857 1.0719 1.1074 0.9570 0.9999 1.0161 0.5227 0.9978 0.8282
PC (35:2) A [M+H]+ 0.9639 1.0376 1.1206 0.7978 1.0698 1.0851 0.3001 1.0795 0.8805
PC (35:2) B [M+H]+ 0.9307 1.0794 1.1338 0.9166 1.0228 1.0620 0.4885 0.9929 0.8220
PC (35:3) [M+H]+ 1.0265 1.0842 1.1049 0.9466 1.0544 0.9862 0.3845 0.9474 0.7989
PC (35:4) [M+H]+ 1.0019 1.0759 1.0966 0.9627 0.9786 1.0365 0.4624 0.9805 0.8365
PC (36:1) [M+H]+ 0.9396 1.0420 1.0977 0.9475 1.0136 1.0449 0.6882 1.0299 0.8457
PC (36:2) [M+H]+ 0.9122 1.0481 1.0829 0.9343 1.0309 1.0695 0.7151 1.0193 0.8654
PC (36:3) A [M+H]+ 0.8568 1.0393 1.1400 0.9499 1.0468 1.1029 0.6808 0.9892 0.7887
PC (36:3) B [M+H]+ 0.9990 1.0979 1.1177 0.8848 0.9436 0.9964 0.7858 1.0318 0.9511
PC (36:4) A [M+H]+ 0.9033 1.0165 1.0938 0.9839 1.0576 1.1414 0.5917 0.8934 0.8121
PC (36:4) B [M+H]+ 0.8814 0.8906 0.7514 0.8117 1.1012 1.3427 0.9349 1.1176 1.2273
PC (36:4) C [M+H]+ 0.9707 1.0404 1.0647 0.9563 0.9942 1.0279 0.7874 1.0358 0.8845
PC (36:5) A [M+H]+ 0.7533 0.8957 1.0169 0.9034 1.1153 1.5600 0.5708 0.7741 0.8194
PC (36:5) B [M+H]+ NA NA NA NA NA NA NA NA NA
PC (36:5) C [M+H]+ 0.9338 1.0195 1.1030 0.9288 1.0059 1.0686 0.7885 1.0357 0.8689
PC (36:5) D [M+H]+ 0.8943 0.9718 0.9840 1.0388 1.0722 1.0811 0.5765 1.1062 0.8026
PC (36:6) [M+H]+ 0.9752 1.0492 1.0985 0.9441 0.9834 1.0341 0.5410 1.0140 0.9094
PC (37:2) [M+H]+ 0.9597 1.0551 1.0909 0.9448 1.0216 1.0468 0.7048 0.9839 0.8428
PC (37:4) [M+H]+ 1.0066 0.9738 1.1292 0.9582 1.0074 1.0672 0.2622 1.0374 0.8000
PC (37:5) [M+H]+ 0.9054 1.0584 1.0210 0.9834 1.0424 1.0835 0.1783 1.0854 0.8263
PC (37:6) [M+H]+ 1.0015 1.0479 1.0730 0.9942 1.0064 1.0176 0.3636 1.0283 0.8001
PC (38:1) [M+H]+ 1.0141 1.0605 1.1186 0.9730 1.0259 0.9436 0.2962 1.0259 0.8421
PC (38:2) [M+H]+ 0.9704 1.0465 1.0733 0.9688 1.0020 1.0280 0.8616 0.9753 0.8869
PC (38:3) [M+H]+ 0.9511 1.0617 1.0784 0.9261 0.9820 1.0324 0.7201 1.0052 0.9966
PC (38:4) A [M+H]+ 0.9168 1.0779 1.1023 0.8863 0.9650 1.0859 0.7097 1.0273 0.9612
PC (38:4) B [M+H]+ 0.9843 1.0676 1.0845 0.8967 0.9840 1.0193 0.9571 0.9897 0.9712
PC (38:4) C [M+H]+ 0.9634 1.0448 1.0766 0.9559 0.9957 1.0361 0.7434 1.0214 0.8768
PC (38:5) A [M+H]+ 0.9733 1.0498 1.0770 0.9687 1.0036 1.0308 0.6610 1.0091 0.8471
PC (38:5) B [M+H]+ 0.9181 0.9983 1.0147 0.9927 1.0469 1.0710 0.7406 1.0593 0.8573
PC (38:6) A [M+H]+ 0.9931 1.0469 1.0633 0.9862 1.0077 1.0255 0.6476 0.9598 0.8812
PC (38:6) B [M+H]+ 0.9432 1.0136 1.0495 1.0036 1.0308 1.0464 0.5622 1.0632 0.8023
PC (38:6) C [M+H]+ 0.9638 1.1270 1.1441 0.8778 0.9331 1.0441 0.7003 1.0115 0.8919
PC (38:7) [M+H]+ 0.9512 1.0290 1.0605 0.9694 1.0296 1.0831 0.4582 1.0516 0.7688
PC (39:4) [M+H]+ 1.0314 1.1271 1.1533 0.9540 1.0328 1.0494 0.6607 0.7747 0.7027
PC (40:4) [M+H]+ 0.9653 1.0304 1.0471 0.9590 0.9776 1.0193 1.0386 1.0151 0.9812
PC (40:5) A [M+H]+ 0.9389 1.0230 1.0397 0.9733 1.0180 1.0541 0.7628 1.0185 0.9168
PC (40:5) B [M+H]+ 0.9678 1.0536 1.0621 0.9346 0.9894 1.0176 0.9280 0.9866 0.9960
PC (40:6) A [M+H]+ 1.0022 1.0768 1.1130 0.9889 1.0034 1.0453 0.8439 0.9549 0.6321
PC (40:6) B [M+H]+ 0.9335 1.0140 1.0445 0.9927 1.0233 1.0422 0.6171 1.0617 0.8717
PC (40:7) A [M+H]+ 0.9327 0.9580 1.0139 0.8822 1.1200 1.0498 0.1803 0.9796 1.2524
PC (40:7) B [M+H]+ 0.9742 1.0771 1.1151 0.9691 1.0147 1.0349 0.5113 0.9881 0.7415
PC (40:8) [M+H]+ 0.9640 1.0289 1.0718 0.9919 1.0178 1.0698 0.6098 0.9720 0.8159
PC (42:10) [M+H]+ 0.9886 1.0025 1.0635 0.8804 1.0321 1.0637 0.6685 1.1149 0.8373
PC (o-32:0) [M+H]+ 0.9795 1.0429 1.0576 1.0023 1.0173 1.0231 0.7293 1.0016 0.7977
PC (o-34:0) [M+H]+ 0.9611 1.0370 1.0487 1.0078 1.0299 1.0193 0.6280 1.0509 0.7788
PC (p-32:1) or PC (o-32:2) [M+H]+ NA NA NA NA NA NA NA NA NA
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]+ 0.9423 0.9955 1.0229 1.0316 1.0599 1.0516 0.8669 1.0468 0.7204
PC (p-34:2) or PC (o-34:3) [M+H]+ 0.9235 1.0146 1.0673 1.0062 1.0441 1.0736 0.6711 1.0289 0.7394
PC (p-36:1) or PC (o-36:2) A [M+H]+ 0.9603 1.0319 1.0535 1.0197 1.0445 1.0418 0.8035 0.9745 0.7528
PC (p-36:1) or PC (o-36:2) B [M+H]+ 0.7354 0.9661 0.9920 1.0998 1.1331 1.2836 0.7808 0.7335 0.9201
PC (p-36:2) or PC (o-36:3) [M+H]+ 0.9604 1.0350 1.0664 1.0071 1.0392 1.0509 0.6999 0.9806 0.7518
PC (p-36:4) or PC (o-36:5) [M+H]+ 0.9974 1.0628 1.0972 0.9699 0.9867 0.9998 0.7018 1.0521 0.7624
PC (p-36:5) or PC (o-36:6) [M+H]+ 0.9410 0.9927 0.9630 1.0381 1.0760 1.0693 0.5439 1.1763 0.6298
PC (p-38:3) or PC (o-38:4) A [M+H]+ 0.9319 1.1212 1.0735 1.0210 0.9153 1.0644 0.9479 0.9561 0.8217
PC (p-38:3) or PC (o-38:4) B [M+H]+ 1.0160 1.0666 1.0854 0.9745 1.0002 1.0143 0.6319 0.9923 0.7731
PC (p-38:4) or PC (o-38:5) A [M+H]+ 1.0007 1.0571 1.0724 0.9890 1.0006 1.0169 0.7222 0.9981 0.7839
PC (p-38:4) or PC (o-38:5) B [M+H]+ 1.0172 1.0757 1.1170 0.9605 0.9867 0.9867 0.7068 1.0159 0.7602
PC (p-38:5) or PC (o-38:6) A [M+H]+ 0.9601 1.0115 1.0274 1.0291 1.0284 1.0364 0.6220 1.1132 0.7014
PC (p-38:5) or PC (o-38:6) B [M+H]+ 0.9962 1.0397 1.0639 0.9942 1.0157 1.0251 0.8116 0.9897 0.7764
PC (p-38:6) or PC (o-38:7) [M+H]+ 0.9565 1.0291 1.0618 0.9936 1.0319 1.0324 0.5481 1.1116 0.7006
PC (p-40:3) or PC (o-40:4) [M+H]+ 1.0103 1.0625 1.0824 0.9921 0.9830 1.0139 0.7153 0.9763 0.8065
PC (p-40:4) or PC (o-40:5) [M+H]+ 1.0008 1.0581 1.0599 1.0061 0.9979 1.0190 0.6755 0.9855 0.7986
PC (p-40:5) or PC (o-40:6) [M+H]+ 0.9678 1.0524 1.0714 0.9981 1.0248 1.0051 0.6487 1.0428 0.7616
PC (p-40:6) or PC (o-40:7) A [M+H]+ 0.9634 1.0293 1.0490 1.0152 1.0412 1.0364 0.5810 1.0375 0.7400
PC (p-40:6) or PC (o-40:7) B [M+H]+ 0.9716 1.0200 1.0239 0.9628 1.0649 1.1251 0.1238 1.0982 0.6609
PC (p-42:2) or PC (o-42:3) [M+H]+ 0.9675 1.1607 1.0071 1.0226 0.9240 1.1553 0.6541 0.8144 0.8528
PC (p-42:4) or PC (o-42:5) [M+H]+ 1.0299 1.0651 1.0736 0.9944 0.9907 1.0052 0.6985 0.9572 0.8084
PC (p-42:5) or PC (o-42:6) A [M+H]+ 1.0302 1.0566 1.0580 0.9911 0.9604 0.9967 0.7838 0.9613 0.9257
PC (p-42:5) or PC (o-42:6) B [M+H]+ 1.0308 0.9915 1.0732 1.0563 1.0825 1.0675 0.8814 0.7926 0.6900
PC (p-44:4) or PC (o-44:5) [M+H]+ 0.9934 1.0687 1.0816 0.9873 0.9880 1.0017 0.6132 0.9627 0.8963
PE (34:2) [M+H]+ NA NA NA NA NA NA NA NA NA
PE (36:1) [M+H]+ 0.9103 1.0920 1.1287 0.8786 1.1413 1.0840 0.8502 0.6299 1.0708
PE (36:2) [M+H]+ NA NA NA NA NA NA NA NA NA
PE (36:4) [M+H]+ 0.8151 0.9505 1.0047 0.7996 1.0994 1.1533 0.9058 1.2258 1.0247
PE (38:4) [M+H]+ 0.8603 1.0704 1.0602 0.8713 1.1431 1.0407 0.4897 1.1366 0.7942
PE (38:6) [M+H]+ 0.9084 1.0681 0.8401 1.0741 1.1070 1.0031 0.6411 1.1673 0.7822
PE (p-34:1) or PE (o-34:2) [M+H]+ NA NA NA NA NA NA NA NA NA
PE (p-36:1) or PE (o-36:2) [M+H]+ NA NA NA NA NA NA NA NA NA
PE (p-36:2) or PE (o-36:3) [M+H]+ 0.8902 1.0554 1.1174 0.9078 1.0183 1.0551 0.7480 1.0437 0.9002
PE (p-36:4) or PE (o-36:5) [M+H]+ 0.9697 0.9747 1.0980 0.9496 1.0165 1.0716 0.5440 1.1682 0.6710
PE (p-38:4) or PE (o-38:5) [M+H]+ 0.9966 1.0238 1.1443 0.9310 0.9995 1.0360 0.5954 1.0721 0.7170
PE (p-38:5) or PE (o-38:6) [M+H]+ 0.9744 1.0158 1.0809 0.9759 1.0165 1.0755 0.6751 1.0637 0.6777
PE (p-40:4) or PE (o-40:5) A [M+H]+ 1.2608 0.9294 1.1138 0.8940 1.2459 1.0384 NA 0.8040 0.6776
PE (p-40:4) or PE (o-40:5) B [M+H]+ 1.0669 0.8788 1.2441 0.9176 0.9110 1.2048 1.1316 0.8596 0.7119
PE (p-40:5) or PE (o-40:6) [M+H]+ 1.0387 0.9873 1.0147 0.9486 1.1494 1.1038 0.5134 0.9824 0.6486
SM (d30:1) [M+H]+ 0.9187 1.0359 1.0567 1.0068 1.0378 1.0605 0.3432 0.9856 0.8993
SM (d32:0) [M+H]+ 0.9481 1.0467 1.0538 0.9923 0.9955 1.0663 0.3754 1.0813 0.7867
SM (d32:1) [M+H]+ 0.9913 1.0671 1.0807 0.9636 0.9954 1.0252 0.5123 0.9991 0.8555
SM (d32:2) [M+H]+ 0.9630 1.0277 1.0637 1.0304 1.0008 1.0474 0.6542 0.9795 0.8180
SM (d33:1) [M+H]+ 1.0073 1.0681 1.0873 0.9724 0.9928 1.0122 0.5546 1.0128 0.7942
SM (d34:0) [M+H]+ 1.0000 1.0305 1.0726 0.9927 1.0048 1.0276 0.8157 1.0082 0.7630
SM (d34:1) [M+H]+ 0.9869 1.0525 1.0754 0.9701 0.9939 1.0210 0.8221 1.0226 0.8050
SM (d34:2) [M+H]+ 1.0038 1.0544 1.0758 0.9743 0.9888 1.0137 0.7883 1.0033 0.8202
SM (d36:0) [M+H]+ 1.0100 1.0203 1.0099 1.0089 1.0062 1.0011 1.0391 1.0340 0.8254
SM (d36:1) [M+H]+ 0.9913 1.0513 1.0692 0.9770 0.9957 1.0084 0.7114 1.0393 0.8169
SM (d36:2) [M+H]+ 0.9892 1.0683 1.0970 0.9630 0.9975 1.0162 0.6426 1.0211 0.7819
SM (d36:3) [M+H]+ 1.0355 1.0723 1.0681 0.9414 0.9805 0.9837 0.9975 1.0225 0.8227
SM (d38:1) [M+H]+ 1.0056 1.0659 1.0917 0.9700 0.9944 1.0067 0.5613 0.9855 0.8467
SM (d38:2) [M+H]+ 0.9911 1.0551 1.0864 0.9815 1.0015 1.0144 0.7040 0.9973 0.8037
SM (d39:1) [M+H]+ 0.9930 1.0879 1.0791 0.9855 0.9941 1.0222 0.4665 0.9749 0.8204
SM (d40:0) [M+H]+ 0.9607 1.0735 0.9322 1.0167 1.0014 1.0423 1.1025 1.0344 0.8622
SM (d40:1) [M+H]+ 1.0007 1.0589 1.0931 0.9705 0.9958 1.0106 0.7230 0.9963 0.8066
SM (d40:2) A [M+H]+ 0.9814 1.0524 1.0215 0.9680 1.0292 1.0628 0.3267 1.0389 0.8336
SM (d40:2) B [M+H]+ 0.9945 1.0682 1.0904 0.9699 0.9929 1.0106 0.7345 0.9864 0.8258
SM (d41:1) [M+H]+ 0.9916 1.0601 1.0777 0.9829 1.0054 1.0227 0.6506 1.0131 0.7674
SM (d41:2) A [M+H]+ 0.9845 1.0488 1.0586 0.9853 1.0219 1.0380 0.5194 1.0398 0.7534
SM (d41:2) B [M+H]+ 0.9946 1.0501 1.0671 0.9927 1.0070 1.0281 0.6102 1.0094 0.7790
SM (d42:1) [M+H]+ 0.9966 1.0392 1.0762 0.9828 1.0010 1.0269 0.7939 0.9968 0.7986
SM (d42:2) [M+H]+ 0.9754 1.0403 1.0637 0.9712 1.0159 1.0388 0.7796 1.0506 0.7525
SM (d42:3) [M+H]+ 0.9690 1.0426 1.0654 0.9829 1.0072 1.0340 0.7642 1.0320 0.7920
SM (d43:1) [M+H]+ 1.0433 1.0396 1.0407 1.0163 0.9845 1.0310 0.3550 1.0217 0.7793
SM (d43:2) [M+H]+ 0.9918 1.0349 1.0638 1.0125 1.0156 1.0378 0.4903 1.0489 0.7025
TG (40:0) [M+K]+ 0.3848 1.4154 1.0913 0.3529 1.3028 1.0319 0.4336 1.4789 1.0438
TG (40:0) [M+Na]+ 0.3338 1.4998 1.1061 0.3205 1.3895 1.0528 0.3873 1.4878 1.0335
TG (40:0) [M+NH4]+ 0.3466 1.4703 1.1160 0.3243 1.3790 1.0690 0.3923 1.4589 1.0683
TG (40:1) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (40:1) [M+Na]+ 0.3025 1.6393 1.2533 0.2661 1.2492 0.9401 0.1818 1.4075 1.0081
TG (40:1) [M+NH4]+ 0.2843 1.5766 1.1768 0.2690 1.2246 0.9158 0.3539 1.4243 0.8664
TG (42:0) [M+K]+ 0.4590 1.4377 1.0764 0.4635 1.2575 1.0381 0.4242 1.3910 1.1125
TG (42:0) [M+Na]+ 0.4319 1.4820 1.1149 0.4028 1.2844 1.0308 0.4557 1.4229 1.0373
TG (42:0) [M+NH4]+ 0.4442 1.3621 1.0576 0.4192 1.3644 1.0964 0.4567 1.3830 1.0703
TG (42:1) [M+K]+ 0.2245 1.6147 1.2449 0.2060 1.1376 0.8067 0.2765 1.4327 0.9450
TG (42:1) [M+Na]+ 0.1706 1.8392 1.3810 0.1505 1.2545 0.9438 0.2339 1.5712 0.9476
TG (42:1) [M+NH4]+ 0.1566 1.8631 1.3845 0.1434 1.2601 0.9601 0.1313 1.5452 0.9475
TG (42:2) [M+K]+ 0.1287 1.2678 0.9164 0.1121 1.3131 0.9102 0.1052 1.2961 1.0173
TG (42:2) [M+Na]+ 0.0636 1.4890 1.0577 0.0581 1.5479 1.0716 0.0983 1.5092 1.1534
TG (42:2) [M+NH4]+ 0.0748 1.3820 1.0055 0.0731 1.4511 1.0048 0.0703 1.4109 1.1061
TG (42:3) [M+K]+ 0.3006 0.4994 0.3473 0.2883 1.5067 1.2496 0.3651 0.8961 1.1849
TG (42:3) [M+Na]+ 0.1495 0.6653 0.4603 0.1386 2.1149 1.6462 0.1232 1.2119 1.5547
TG (42:3) [M+NH4]+ 0.1983 0.5996 0.4730 0.1606 1.8466 1.4384 0.1269 1.1334 1.3817
TG (44:0) [M+K]+ 0.5064 1.3255 1.0763 0.4584 1.2916 1.0682 0.5049 1.3744 1.1210
TG (44:0) [M+Na]+ 0.4113 1.3712 1.0938 0.3759 1.3431 1.0872 0.4319 1.4512 1.1103
TG (44:0) [M+NH4]+ 0.3736 1.4073 1.1522 0.3239 1.3423 1.1395 0.3654 1.4002 1.0879
TG (44:1) [M+K]+ 0.4019 1.6288 1.3492 0.3547 1.1061 0.9971 0.3893 1.3602 1.0146
TG (44:1) [M+Na]+ 0.3135 1.6812 1.3986 0.2763 1.1360 0.9882 0.3727 1.4229 1.0235
TG (44:1) [M+NH4]+ 0.3068 1.6069 1.3433 0.2599 1.2168 1.0649 0.3173 1.3931 1.0414
TG (44:2) [M+K]+ 0.2406 1.4683 1.1298 0.1913 1.4237 1.0919 0.1800 1.4482 1.1502
TG (44:2) [M+Na]+ 0.1897 1.5241 1.1823 0.1554 1.4638 1.1416 0.1850 1.4783 1.1798
TG (44:2) [M+NH4]+ 0.1676 1.5159 1.1803 0.1308 1.4686 1.1451 0.1828 1.4616 1.2186
TG (46:0) [M+K]+ 0.6621 1.0997 1.0433 0.6610 1.0875 1.0613 1.0459 1.3230 1.3144
TG (46:0) [M+Na]+ 0.6767 1.1783 1.0380 0.6104 1.1664 1.0788 0.8039 1.2241 1.2349
TG (46:0) [M+NH4]+ 0.6659 1.2295 1.0847 0.5743 1.1602 1.1107 0.6635 1.2054 1.1395
TG (46:1) [M+K]+ 0.3518 1.5559 1.3822 0.3158 1.1627 1.0139 0.3721 1.4343 1.0107
TG (46:1) [M+Na]+ 0.3124 1.5906 1.4138 0.2778 1.1448 1.0269 0.3166 1.4364 1.0599
TG (46:1) [M+NH4]+ 0.2839 1.6729 1.4777 0.2336 1.1477 1.0531 0.2407 1.3436 1.0121
TG (46:2) [M+K]+ 0.2414 1.4731 1.2432 0.2023 1.3738 1.1223 0.2126 1.4629 1.2115
TG (46:2) [M+Na]+ 0.2018 1.4801 1.2436 0.1662 1.4023 1.1612 0.1540 1.4733 1.2029
TG (46:2) [M+NH4]+ 0.1779 1.4385 1.2215 0.1424 1.5021 1.2280 0.1317 1.4065 1.1685
TG (46:3) A [M+K]+ 0.3863 1.4419 1.2891 0.3000 1.1067 1.0337 0.2262 1.3173 1.0726
TG (46:3) A [M+Na]+ 0.3085 1.5901 1.3560 0.2417 1.2502 1.0800 0.1913 1.3350 1.0919
TG (46:3) A [M+NH4]+ 0.3119 1.5235 1.3104 0.2545 1.2621 1.0900 0.1474 1.2850 1.1049
TG (46:3) B [M+K]+ 0.1833 0.4501 0.3787 0.1620 2.0891 1.7703 0.1768 1.2938 1.6255
TG (46:3) B [M+Na]+ 0.1310 0.5175 0.3942 0.1284 2.2923 1.8996 0.1349 1.3124 1.7144
TG (46:3) B [M+NH4]+ 0.1436 0.5157 0.4380 0.1381 2.2602 1.8911 0.1505 1.3060 1.6795
TG (46:4) A [M+K]+ 0.5913 1.1804 0.9932 0.4461 1.1907 0.9621 0.2529 1.1596 1.0654
TG (46:4) A [M+Na]+ 0.4262 1.2486 0.9237 0.3008 1.3285 0.9528 0.1760 1.2290 1.0858
TG (46:4) A [M+NH4]+ 0.2641 1.2887 0.9193 0.2117 1.3026 1.0444 0.2044 1.3889 1.1361
TG (46:4) B [M+K]+ NA NA NA NA NA NA NA NA NA
TG (46:4) B [M+Na]+ 0.3326 0.9574 0.6469 0.2705 1.6903 1.4741 0.2417 1.1795 1.2158
TG (46:4) B [M+NH4]+ 0.4376 0.5244 0.5530 0.3994 1.7772 1.7756 0.2453 0.9147 0.5285
TG (46:5) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (46:5) [M+Na]+ 0.2702 0.4908 0.3662 0.2928 1.8975 1.4408 0.2987 1.2068 1.4292
TG (46:5) [M+NH4]+ 0.2781 0.3612 0.3517 0.2674 1.5389 1.3670 NA 0.8234 1.1182
TG (48:0) [M+K]+ 0.7566 1.0462 1.0158 0.7770 1.0817 1.1135 1.0981 1.1595 1.1650
TG (48:0) [M+Na]+ 0.7612 1.0447 0.9918 0.7235 1.1125 1.1311 1.0532 1.1930 1.1768
TG (48:0) [M+NH4]+ 0.6605 1.2268 1.1256 0.5948 1.1185 1.1320 0.6884 1.1414 1.1648
TG (48:1) [M+K]+ 0.7104 1.1850 1.1077 0.6666 1.0684 0.9938 0.7202 1.1770 1.3811
TG (48:1) [M+Na]+ 0.7104 1.2199 1.1285 0.6471 1.0534 0.9887 0.6623 1.1806 1.3628
TG (48:1) [M+NH4]+ 0.7059 1.2690 1.1708 0.6322 1.0386 1.0024 0.5263 1.1739 1.2615
TG (48:2) [M+K]+ 0.5824 1.3831 1.2573 0.5265 1.0672 0.9861 0.4418 1.2730 1.1812
TG (48:2) [M+Na]+ 0.5752 1.4138 1.2747 0.4965 1.0728 1.0128 0.4004 1.2398 1.1521
TG (48:2) [M+NH4]+ 0.5599 1.4955 1.3404 0.4391 1.0775 1.0538 0.2904 1.1192 1.1168
TG (48:3) [M+K]+ 0.2834 1.6136 1.4336 0.2373 1.1831 1.0461 0.1779 1.3966 1.0819
TG (48:3) [M+Na]+ 0.2450 1.6702 1.4593 0.2009 1.2015 1.0501 0.1403 1.3756 1.0641
TG (48:3) [M+NH4]+ 0.2256 1.6749 1.4439 0.1806 1.2557 1.0914 0.1184 1.3274 1.0356
TG (48:4) A [M+K]+ 0.1306 1.4008 1.2347 0.1141 1.5244 1.2474 0.0855 1.4646 1.2049
TG (48:4) A [M+Na]+ 0.1092 1.4200 1.2096 0.0903 1.5721 1.2619 0.0639 1.4425 1.2121
TG (48:4) A [M+NH4]+ 0.1109 1.3552 1.1496 0.1025 1.6072 1.2788 0.0550 1.3870 1.2237
TG (48:4) B [M+K]+ 0.1909 0.7145 0.4992 0.2015 2.1649 1.8446 0.2144 0.6760 1.6906
TG (48:4) B [M+Na]+ 0.1190 0.2664 0.2233 0.1429 2.6680 2.1946 0.0563 0.2477 1.9926
TG (48:4) B [M+NH4]+ 0.1690 0.9169 0.7568 0.1497 2.0242 1.7012 0.1212 0.9248 1.5098
TG (48:5) [M+K]+ 0.1296 0.5040 0.4064 0.1126 2.2637 1.7468 0.1038 1.2647 1.6187
TG (48:5) [M+Na]+ 0.0640 0.4279 0.3497 0.0575 2.3682 1.8169 0.0404 1.2782 1.6998
TG (48:5) [M+NH4]+ 0.0753 0.4562 0.3716 0.0606 2.3568 1.7990 0.0502 1.2432 1.6898
TG (48:6) [M+K]+ 0.1866 0.2114 0.1388 0.1553 1.3303 1.1390 NA 0.8431 0.8693
TG (48:6) [M+Na]+ 0.1477 0.1265 0.1958 0.1249 1.4447 1.2136 0.0622 0.8009 1.0584
TG (48:6) [M+NH4]+ 0.1199 0.1688 0.1427 0.1022 1.7847 1.5178 0.1210 1.0271 1.3697
TG (49:0) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (49:0) [M+Na]+ 1.0405 1.0952 0.9469 0.9337 1.1048 1.0424 0.5817 0.9240 0.8541
TG (49:0) [M+NH4]+ 1.0466 1.0586 1.0361 0.9099 1.0311 0.8726 0.9938 1.0671 1.0281
TG (49:1) [M+K]+ 0.9755 1.1125 1.0190 0.9329 0.9782 0.9096 0.6870 1.0603 1.1525
TG (49:1) [M+Na]+ 0.9796 1.1333 0.9912 0.9209 1.0032 0.9194 0.6086 1.0493 1.1405
TG (49:1) [M+NH4]+ 0.9264 1.1456 1.0012 0.8617 1.0574 0.9783 0.5171 1.0126 1.1572
TG (49:2) [M+K]+ 0.9544 1.0242 0.8983 0.9116 1.0884 1.0832 0.5869 0.9199 1.2658
TG (49:2) [M+Na]+ 1.0266 1.1992 1.0379 0.9293 0.9528 0.8460 0.5853 1.0469 1.0835
TG (49:2) [M+NH4]+ 0.9539 1.1858 1.0028 0.8381 1.0527 0.9760 0.4564 0.9979 1.1199
TG (49:3) [M+K]+ 0.9628 1.1847 1.1055 0.9005 0.9257 0.7840 0.4608 1.1076 1.2654
TG (49:3) [M+Na]+ 0.9791 1.2084 1.0677 0.9117 0.9272 0.8597 0.5417 1.0611 1.1529
TG (49:3) [M+NH4]+ 0.8284 1.1943 1.0056 0.7530 1.1238 0.9844 0.4974 1.0972 1.2035
TG (50:0) [M+K]+ 0.8385 1.0963 0.9759 0.7905 1.0929 1.0321 1.0274 1.1391 1.1504
TG (50:0) [M+Na]+ 0.7917 1.1256 0.9772 0.7481 1.1145 1.0461 0.9898 1.1517 1.1865
TG (50:0) [M+NH4]+ 0.6938 1.1931 1.0068 0.6491 1.1892 1.1046 0.8063 1.1224 1.1934
TG (50:1) [M+K]+ 0.8064 1.0939 1.0063 0.8200 1.0643 0.9826 0.9091 1.1616 1.2555
TG (50:1) [M+Na]+ 0.7893 1.1203 1.0123 0.8004 1.0601 0.9625 0.8571 1.2104 1.2587
TG (50:1) [M+NH4]+ 0.7031 1.2682 1.1470 0.6893 1.0554 0.9696 0.5644 1.1564 1.2446
TG (50:2) [M+K]+ 0.8063 1.1106 1.0053 0.8079 1.0867 0.9689 0.8083 1.1166 1.3194
TG (50:2) [M+Na]+ 0.7953 1.1415 1.0217 0.7880 1.0773 0.9477 0.7472 1.1601 1.3047
TG (50:2) [M+NH4]+ 0.7810 1.1835 1.0686 0.7570 1.0720 0.9856 0.5552 1.1301 1.2355
TG (50:3) A [M+K]+ 0.7833 1.1614 1.1058 0.7508 1.0416 0.9916 0.5840 1.1396 1.2479
TG (50:3) A [M+Na]+ 0.7586 1.1772 1.1142 0.7178 1.0505 1.0114 0.5183 1.1490 1.2575
TG (50:3) A [M+NH4]+ 0.7219 1.2699 1.1814 0.6372 1.0709 1.0463 0.3751 1.0519 1.2409
TG (50:3) B [M+K]+ 0.4635 0.5008 0.5049 0.4205 1.8182 1.7073 0.1814 1.3605 1.6032
TG (50:3) B [M+Na]+ 0.5739 0.6649 0.5803 0.5145 1.6197 1.6338 0.3866 1.2005 1.4942
TG (50:3) B [M+NH4]+ 0.5880 0.9420 0.8408 0.5016 1.7476 1.9411 0.3700 0.5552 0.4329
TG (50:4) [M+K]+ 0.6448 1.1746 1.1438 0.5769 1.1546 1.1839 0.3443 1.1057 1.2322
TG (50:4) [M+Na]+ 0.6166 1.2081 1.1671 0.5508 1.1656 1.1972 0.2989 1.0747 1.2345
TG (50:4) [M+NH4]+ 0.6138 1.2452 1.1878 0.5291 1.1855 1.2102 0.2532 1.0056 1.2128
TG (50:5) [M+K]+ 0.4550 0.7526 0.6987 0.3825 1.6727 1.7591 0.2175 1.0750 1.3855
TG (50:5) [M+Na]+ 0.4164 0.7416 0.6820 0.3487 1.7560 1.7986 0.1282 1.0644 1.4105
TG (50:5) [M+NH4]+ 0.4133 0.7377 0.6872 0.3444 1.7535 1.8084 0.2010 1.0268 1.4490
TG (50:6) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (50:6) [M+Na]+ 0.2847 0.7123 0.7352 0.2401 1.8062 1.7725 0.2157 1.2465 1.4455
TG (50:6) [M+NH4]+ 0.3085 0.7555 0.7108 0.2941 1.7873 1.7521 0.2362 1.1948 1.4067
TG (51:1) [M+K]+ 0.9466 1.1050 0.9308 0.9343 0.9999 0.9698 0.5979 1.1479 1.1048
TG (51:1) [M+Na]+ 0.7816 1.3070 1.1068 0.8318 1.1467 1.0210 0.5949 0.7492 1.0334
TG (51:1) [M+NH4]+ 0.9613 1.1705 0.9614 0.8430 1.1060 0.9366 0.5766 0.9860 1.1707
TG (51:2) [M+K]+ 1.0078 1.1479 0.9991 0.9505 0.9976 0.8871 0.5352 1.0486 1.0731
TG (51:2) [M+Na]+ 0.9899 1.1618 1.0028 0.9499 1.0141 0.8825 0.4446 1.0471 1.0689
TG (51:2) [M+NH4]+ 0.9354 1.1558 0.9890 0.8946 1.0755 0.9444 0.4125 1.0289 1.1020
TG (51:3) [M+K]+ 0.9514 1.1712 1.0602 0.9246 0.9775 0.9304 0.4946 1.0226 1.0700
TG (51:3) [M+Na]+ 0.9426 1.1842 1.0673 0.8935 0.9999 0.9326 0.4177 1.0023 1.1077
TG (51:3) [M+NH4]+ 0.8913 1.1512 1.0401 0.8276 1.0769 1.0246 0.3859 0.9876 1.1321
TG (51:4) [M+K]+ 0.8654 1.0153 0.9884 0.8502 1.0710 1.0736 0.5200 1.0439 1.2972
TG (51:4) [M+Na]+ 0.9092 1.1565 1.0715 0.8503 1.0247 1.0403 0.3480 0.9599 1.1027
TG (51:4) [M+NH4]+ 0.8686 1.1419 1.0430 0.7968 1.0945 1.1096 0.3737 0.9291 1.1227
TG (51:5) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (51:5) [M+Na]+ 0.8145 0.9840 0.9653 0.8394 1.1247 1.3487 0.4193 0.9462 0.8982
TG (51:5) [M+NH4]+ 0.8532 0.9577 0.9257 0.8555 1.0841 1.3975 0.5092 0.9653 0.9211
TG (52:0) [M+K]+ 0.8616 1.1051 0.9955 0.8933 1.0748 0.9594 1.0277 1.0946 1.0873
TG (52:0) [M+Na]+ 0.9260 1.1142 0.9759 0.8777 1.0677 0.9732 0.9694 1.0521 1.0747
TG (52:0) [M+NH4]+ 0.8837 1.1169 0.9608 0.8330 1.1023 0.9929 0.9636 1.0704 1.1368
TG (52:1) [M+K]+ 0.7324 1.2260 1.0250 0.7553 1.1090 0.9447 0.7869 1.2112 1.1794
TG (52:1) [M+Na]+ 0.6906 1.2582 1.0359 0.7067 1.1343 0.9590 0.7483 1.2144 1.1994
TG (52:1) [M+NH4]+ 0.6044 1.3159 1.0685 0.6094 1.2023 1.0219 0.5960 1.1862 1.1897
TG (52:2) [M+K]+ 1.0501 1.1131 1.0736 1.0201 0.9533 0.8138 0.5697 1.1245 0.8939
TG (52:2) [M+Na]+ 0.9176 1.1306 1.0570 0.9104 1.0126 0.9053 0.6855 1.1100 1.0650
TG (52:2) [M+NH4]+ 0.8362 1.2429 1.1143 0.8176 1.0083 0.8793 0.5075 1.1607 1.1191
TG (52:3) [M+K]+ 0.8845 1.0420 1.0296 0.8977 1.0466 0.9952 0.7676 1.0807 1.1461
TG (52:3) [M+Na]+ 0.8516 1.0829 1.0566 0.8623 1.0432 0.9875 0.6797 1.1134 1.1469
TG (52:3) [M+NH4]+ 0.7623 1.1667 1.1099 0.7741 1.0513 0.9794 0.5087 1.1631 1.2056
TG (52:4) [M+K]+ 0.7695 1.0359 1.0443 0.7938 1.0865 1.1047 0.6130 1.1191 1.2325
TG (52:4) [M+Na]+ 0.7554 1.0724 1.0545 0.7647 1.1013 1.1139 0.5723 1.1138 1.1947
TG (52:4) [M+NH4]+ 0.6566 1.1768 1.1077 0.6492 1.1749 1.1741 0.3615 1.0367 1.1944
TG (52:5) [M+K]+ 0.5216 0.7210 0.6908 0.5065 1.5603 1.7290 0.3223 1.0950 1.3757
TG (52:5) [M+Na]+ 0.5169 0.7338 0.6906 0.4839 1.6088 1.7547 0.2742 1.0367 1.3431
TG (52:5) [M+NH4]+ 0.4562 0.7276 0.6619 0.4152 1.7447 1.8822 0.2087 0.9190 1.2958
TG (52:6) [M+K]+ 0.3897 0.4912 0.5103 0.3485 1.8508 1.7953 0.2778 1.1860 1.5385
TG (52:6) [M+Na]+ 0.3680 0.4569 0.4630 0.3127 1.9763 1.9169 0.2145 1.1926 1.6394
TG (52:6) [M+NH4]+ 0.2395 0.4334 0.3815 0.2565 2.1413 2.0232 0.1060 1.1811 1.6719
TG (53:0) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (53:0) [M+Na]+ 1.0123 1.0987 0.9577 0.9469 1.0183 0.9648 1.0516 1.0396 0.9468
TG (53:0) [M+NH4]+ 0.9832 1.0574 0.9878 0.9553 1.0396 0.9738 1.0045 1.0027 1.0069
TG (53:1) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (53:1) [M+Na]+ 0.9292 1.2840 0.9161 0.9373 1.0422 0.8796 0.5228 1.0393 1.0879
TG (53:1) [M+NH4]+ 0.9652 1.1727 0.9005 0.8327 1.2221 0.9896 0.8948 0.7687 1.1934
TG (53:2) [M+K]+ 0.8581 1.1901 1.0300 0.9757 0.9883 0.9023 0.3971 1.1327 1.0590
TG (53:2) [M+Na]+ 0.9565 1.1878 1.0256 0.9120 1.0502 0.8884 0.2408 1.0780 1.0237
TG (53:2) [M+NH4]+ 0.9975 1.1931 1.0547 0.8746 1.0753 0.8306 0.0771 1.0690 1.0736
TG (53:3) [M+K]+ 1.1865 1.1539 1.0710 0.9975 1.0770 0.7989 0.4329 1.0060 0.5601
TG (53:3) [M+Na]+ 0.8973 1.1810 1.0518 0.8775 1.0495 0.9454 0.4388 1.0580 1.0457
TG (53:3) [M+NH4]+ 0.8718 1.1764 1.0404 0.8493 1.0862 0.9853 0.4020 1.0376 1.0603
TG (53:4) [M+K]+ 0.8774 1.1157 1.0473 0.8555 1.0456 1.0311 0.7457 1.0493 1.0455
TG (53:4) [M+Na]+ 0.8492 1.1704 1.0557 0.8329 1.0625 1.0341 0.4386 1.0459 1.0479
TG (53:4) [M+NH4]+ 0.6920 1.3144 1.3070 0.8068 1.0368 0.9142 0.6741 1.2466 0.6013
TG (54:0) [M+K]+ 0.9548 1.0705 1.0517 0.9297 1.0417 1.0067 1.0755 1.0181 0.8521
TG (54:0) [M+Na]+ 0.9673 1.0654 1.0263 0.9412 1.0300 0.9727 1.0074 1.0257 0.9651
TG (54:0) [M+NH4]+ 0.9252 1.0732 0.9971 0.9047 1.0510 0.9869 0.9358 1.0484 1.0756
TG (54:1) [M+K]+ 0.5609 1.4011 1.0876 0.5326 1.2379 0.9667 0.6935 1.2563 1.1561
TG (54:1) [M+Na]+ 0.5782 1.3516 1.0559 0.5676 1.2517 0.9974 0.6492 1.2477 1.1306
TG (54:1) [M+NH4]+ 0.5625 1.3434 1.0263 0.5446 1.2854 1.0261 0.5938 1.2326 1.1847
TG (54:2) [M+K]+ 0.6626 1.3872 1.1781 0.6767 1.1070 0.9086 0.5534 1.2269 0.9702
TG (54:2) [M+Na]+ 0.6287 1.4160 1.1941 0.6416 1.1201 0.9188 0.5253 1.2214 0.9883
TG (54:2) [M+NH4]+ 0.5360 1.4676 1.2106 0.5428 1.1902 0.9744 0.4225 1.2153 1.0078
TG (54:3) [M+K]+ 0.6999 1.4100 1.2300 0.7087 1.0563 0.8844 0.6075 1.1416 0.9575
TG (54:3) [M+Na]+ 0.6726 1.4243 1.2495 0.6759 1.0570 0.8835 0.5056 1.1881 0.9681
TG (54:3) [M+NH4]+ 0.6327 1.5325 1.3416 0.6214 1.0155 0.8695 0.3822 1.1894 0.9117
TG (54:4) [M+K]+ 0.6180 1.3949 1.2769 0.6392 1.0678 0.9518 0.5384 1.2057 0.9548
TG (54:4) [M+Na]+ 0.5928 1.4604 1.3298 0.6089 1.0431 0.9288 0.4643 1.2277 0.9216
TG (54:4) [M+NH4]+ 0.4766 1.6292 1.4377 0.4904 1.0401 0.9154 0.3136 1.2240 0.9332
TG (54:5) A [M+K]+ 0.4504 1.4021 1.2459 0.4872 1.2004 1.0328 0.4232 1.2984 1.0861
TG (54:5) A [M+Na]+ 0.4346 1.4137 1.2691 0.4652 1.1873 1.0490 0.3575 1.3134 1.0803
TG (54:5) A [M+NH4]+ 0.3673 1.4990 1.3027 0.3955 1.2598 1.0834 0.2383 1.2277 1.0478
TG (54:5) B [M+K]+ 0.9381 1.2548 1.2376 0.9150 0.8295 0.6779 0.8193 0.9654 1.4977
TG (54:5) B [M+Na]+ 0.8336 1.1404 1.1203 0.7959 0.9373 0.9965 0.7091 1.1365 1.2597
TG (54:5) B [M+NH4]+ 0.8185 1.1775 1.1630 0.7456 0.9292 1.1082 0.6007 1.0462 1.1703
TG (54:6) A [M+K]+ 0.4272 1.2540 1.1061 0.4653 1.3818 1.1051 0.3165 1.3037 1.2118
TG (54:6) A [M+Na]+ 0.3954 1.2702 1.0884 0.4391 1.4269 1.1518 0.2843 1.2700 1.1910
TG (54:6) A [M+NH4]+ 0.3684 1.2599 1.0706 0.4021 1.5269 1.1927 0.2238 1.1996 1.1904
TG (54:6) B [M+K]+ 0.1499 0.2654 0.2651 0.2177 2.2262 1.9366 0.2123 1.5537 1.8510
TG (54:6) B [M+Na]+ 0.1761 0.2230 0.1601 0.1170 2.3103 2.0226 0.1821 1.4985 1.8545
TG (54:6) B [M+NH4]+ 0.0591 0.1176 0.1164 0.0759 2.5639 2.1878 0.1370 1.2952 1.8424
TG (54:6) C [M+K]+ 0.7828 0.9417 0.9573 0.7589 1.1255 1.2724 0.7074 1.0655 1.2519
TG (54:6) C [M+Na]+ 0.7437 0.9683 0.9693 0.7176 1.1832 1.2818 0.6048 1.0445 1.2483
TG (54:6) C [M+NH4]+ 0.6852 1.0740 1.0662 0.6214 1.2101 1.3169 0.4495 0.9680 1.1808
TG (54:7) A [M+K]+ 0.2226 0.4652 0.4287 0.2407 2.2209 1.7912 0.1639 1.3295 1.6838
TG (54:7) A [M+Na]+ 0.1936 0.4366 0.3921 0.2074 2.3185 1.8232 0.1182 1.3006 1.7128
TG (54:7) A [M+NH4]+ 0.1824 0.4086 0.3625 0.1900 2.4335 1.8472 0.1127 1.2358 1.6812
TG (54:7) B [M+K]+ 0.3563 0.4065 0.4259 0.3690 2.0002 2.0600 0.2699 1.1744 1.3629
TG (54:7) B [M+Na]+ 0.3293 0.3973 0.4159 0.3286 1.9947 2.1339 0.2277 1.0791 1.5448
TG (54:7) B [M+NH4]+ 0.2584 0.3255 0.3038 0.2585 2.1985 2.2962 0.1681 1.0902 1.3986
TG (54:8) [M+K]+ 0.0817 0.0863 0.0828 0.0681 1.9310 1.8729 0.0643 1.1002 1.4840
TG (54:8) [M+Na]+ 0.0611 0.0746 0.0724 0.0612 2.4981 2.3981 0.0549 1.3333 1.8742
TG (54:8) [M+NH4]+ 0.0573 0.0754 0.0707 0.0668 2.4112 2.2909 0.0502 1.2067 1.7434
TG (54:9) [M+K]+ 0.2421 0.1705 0.1782 0.1893 1.2776 1.4381 0.1677 0.7765 0.9989
TG (54:9) [M+Na]+ 0.0528 0.0830 0.0705 0.0509 1.5320 1.8706 0.0490 0.8118 1.2061
TG (54:9) [M+NH4]+ 0.0874 0.0852 0.0498 0.0625 1.3112 1.5582 0.0672 0.7059 1.0100
TG (55:1) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (55:1) [M+Na]+ 0.9295 1.2962 0.9792 0.8639 1.0221 1.0384 0.9197 0.8113 1.0556
TG (55:1) [M+NH4]+ 0.8744 1.1722 1.0416 0.8443 1.0591 0.9331 0.8352 1.0891 1.0829
TG (55:2) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (55:2) [M+Na]+ 0.9333 0.9691 1.1647 0.8302 0.9994 1.0507 1.1633 1.0144 1.1685
TG (55:2) [M+NH4]+ NA NA NA NA NA NA NA NA NA
TG (55:3) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (55:3) [M+Na]+ 0.8191 1.1910 1.0906 0.8728 1.1112 0.8806 0.6277 1.0830 1.0464
TG (55:3) [M+NH4]+ 0.8437 1.1464 1.0565 0.8720 1.1809 0.9587 0.5905 1.0111 0.9466
TG (56:0) [M+K]+ 1.0651 1.1975 1.0125 0.9467 0.8929 0.9889 1.0774 1.0269 0.7713
TG (56:0) [M+Na]+ 0.9492 1.0812 1.0364 0.9434 1.0222 0.9927 0.9631 1.0142 0.9442
TG (56:0) [M+NH4]+ 0.9284 1.0683 0.9943 0.9117 1.0417 0.9936 0.9704 1.0617 1.0479
TG (56:10) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (56:10) [M+Na]+ 0.4421 0.5958 0.6113 0.5493 1.4966 2.1002 0.4410 0.9995 1.1279
TG (56:10) [M+NH4]+ 0.5946 0.6898 0.6873 0.5663 1.4669 1.8788 0.5725 0.9023 0.9437
TG (56:1) [M+K]+ 0.6438 1.3638 0.9832 0.4698 1.1398 1.1154 0.6413 1.2975 0.6813
TG (56:1) [M+Na]+ 0.4651 1.4001 1.1487 0.4258 1.2833 1.0722 0.5528 1.2531 1.1633
TG (56:1) [M+NH4]+ 0.4570 1.3781 1.0942 0.4231 1.2900 1.0976 0.5452 1.2995 1.1998
TG (56:2) [M+K]+ 0.3535 1.0912 0.9548 0.3356 1.6015 1.3061 0.4046 1.3326 1.2861
TG (56:2) [M+Na]+ 0.2849 1.1221 0.8033 0.2491 1.7310 1.4170 0.2563 1.3580 1.3174
TG (56:2) [M+NH4]+ 0.2427 1.1063 0.8843 0.2763 1.7297 1.3905 0.2408 1.3103 1.3476
TG (56:3) [M+K]+ 0.4463 0.8897 0.7713 0.4486 1.6864 1.3899 0.2947 1.2957 1.3281
TG (56:3) [M+Na]+ 0.3742 0.8355 0.7240 0.3599 1.8197 1.4646 0.2529 1.3332 1.3652
TG (56:3) [M+NH4]+ 0.3299 0.7942 0.6830 0.3223 1.9213 1.5335 0.2057 1.3007 1.3842
TG (56:4) [M+K]+ 0.8559 1.1627 1.0726 0.8600 1.0481 0.9198 0.6153 1.1190 1.0947
TG (56:4) [M+Na]+ 0.4085 0.7086 0.6658 0.4150 1.8780 1.4830 0.2920 1.2727 1.4593
TG (56:4) [M+NH4]+ 0.3551 0.6899 0.6424 0.3538 1.9165 1.5560 0.2098 1.3371 1.4595
TG (56:5) A [M+K]+ 0.8115 1.1306 1.0714 0.8034 1.0695 1.0074 0.5703 1.1159 1.1485
TG (56:5) A [M+Na]+ 0.6247 0.8801 0.8146 0.6795 1.5473 1.3455 0.4154 0.8852 1.3912
TG (56:5) A [M+NH4]+ 0.4527 0.5488 0.6715 0.4138 1.7545 1.6088 0.3174 1.3440 1.5651
TG (56:5) B [M+K]+ 0.7747 0.8205 0.8992 0.6632 1.2854 1.2405 0.6712 1.1788 1.3929
TG (56:5) B [M+Na]+ 0.6779 0.8629 0.8419 0.6585 1.3687 1.3286 0.5031 1.1479 1.3292
TG (56:5) B [M+NH4]+ 0.6339 0.6250 0.7361 0.6750 1.5151 1.3850 0.3688 1.2519 1.4933
TG (56:5) C [M+K]+ 0.8565 1.0758 1.1052 0.8863 1.0314 1.0229 0.7129 1.1282 0.9207
TG (56:5) C [M+Na]+ 0.8512 1.0926 1.1206 0.8606 1.0536 1.0127 0.6117 1.1347 0.9075
TG (56:5) C [M+NH4]+ 0.7788 1.1879 1.1740 0.7957 1.0541 0.9914 0.5003 1.1574 0.9320
TG (56:6) [M+K]+ 0.8610 1.0890 1.0467 0.8680 1.0566 1.0078 0.5689 1.0605 1.1508
TG (56:6) [M+Na]+ 0.8548 1.1284 1.0856 0.8687 1.0257 0.9987 0.5493 1.0688 1.0847
TG (56:6) [M+NH4]+ 0.7976 1.1682 1.1690 0.8081 1.0368 1.0608 0.5123 1.0427 0.9711
TG (56:7) A [M+K]+ 0.7847 1.0215 1.0473 0.8381 1.0908 1.1600 0.6297 1.0420 1.1085
TG (56:7) A [M+Na]+ 0.7559 1.0548 1.0677 0.7999 1.1019 1.1756 0.5415 1.0429 1.1002
TG (56:7) A [M+NH4]+ 0.6850 1.1542 1.1278 0.6972 1.1371 1.2029 0.4298 1.0070 1.0876
TG (56:7) B [M+K]+ 0.8671 1.0192 0.9979 0.9579 1.0265 0.9783 0.6566 1.1696 1.1279
TG (56:7) B [M+Na]+ 0.8162 1.1505 1.0420 0.8103 1.0794 1.0387 0.5004 1.1390 1.0315
TG (56:7) B [M+NH4]+ 0.7806 1.1247 1.0669 0.8037 1.0928 1.0389 0.4183 1.1589 1.0759
TG (56:8) A [M+K]+ 0.7554 1.0732 1.0552 0.8176 1.1274 1.1447 0.6105 1.0418 1.0504
TG (56:8) A [M+Na]+ 0.7180 1.0866 1.0561 0.6453 1.1745 1.3047 0.5284 1.0320 1.0511
TG (56:8) A [M+NH4]+ 0.6705 1.1294 1.0820 0.7261 1.1371 1.2657 0.4895 1.0145 1.0332
TG (56:8) B [M+K]+ 0.8428 1.0753 1.0889 0.8836 1.0139 1.0507 0.5784 1.0969 1.0390
TG (56:8) B [M+Na]+ 0.8085 1.0580 1.0493 0.8462 1.1019 1.1020 0.4831 1.1010 1.0103
TG (56:8) B [M+NH4]+ 0.7838 1.1160 1.1122 0.8054 1.0132 1.0480 0.4377 1.1289 1.1887
TG (56:9) [M+K]+ 0.5652 0.7074 0.7437 0.6025 1.4310 1.8412 0.3890 0.9827 1.1913
TG (56:9) [M+Na]+ 0.5252 0.6613 0.6656 0.5724 1.4900 1.9720 0.3905 0.9967 1.1470
TG (56:9) [M+NH4]+ 0.5478 0.6725 0.6895 0.6047 1.4633 1.9155 0.5120 0.9976 1.1180
TG (57:1) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (57:1) [M+Na]+ 0.7692 1.1879 1.0904 0.8417 1.0446 0.9722 0.7920 1.1396 1.0486
TG (57:1) [M+NH4]+ 0.6134 1.3327 1.0609 0.7288 1.0572 0.9858 0.1366 1.2638 1.2652
TG (57:2) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (57:2) [M+Na]+ 0.7658 1.1914 1.0840 0.7930 1.1050 0.9717 0.7744 1.1560 1.0155
TG (57:2) [M+NH4]+ 0.6586 1.3348 1.0518 0.5657 1.1538 0.9939 0.5239 1.3160 1.1614
TG (58:0) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (58:0) [M+Na]+ 0.9802 1.0545 1.0106 0.9685 1.0079 0.9856 1.0550 1.0316 0.9348
TG (58:0) [M+NH4]+ 0.9581 1.0664 0.9950 0.9461 1.0079 0.9699 1.0012 1.0797 1.0086
TG (58:10) [M+K]+ 0.8938 1.0584 1.0553 0.9499 1.1250 1.0677 0.8232 0.8516 0.9295
TG (58:10) [M+Na]+ 0.8351 1.0682 1.0533 0.8715 1.0217 1.1362 0.7006 1.0655 0.9840
TG (58:10) [M+NH4]+ 0.8354 1.0164 1.0453 0.8023 1.1115 1.1174 0.8158 1.0876 1.0277
TG (58:1) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (58:1) [M+Na]+ 0.5871 1.3948 1.1759 0.5565 1.1321 0.9921 0.6138 1.2326 1.1152
TG (58:1) [M+NH4]+ 0.5863 1.3932 1.1291 0.5423 1.1359 0.9861 0.6287 1.2506 1.2198
TG (58:2) [M+K]+ 0.3744 1.1070 0.8703 0.3909 1.5238 1.2251 0.3556 1.2639 1.2906
TG (58:2) [M+Na]+ 0.2642 1.0793 0.8691 0.2382 1.7419 1.4031 0.3324 1.3162 1.3911
TG (58:2) [M+NH4]+ 0.2619 1.0651 0.8303 0.2399 1.7422 1.4104 0.3286 1.3053 1.4983
TG (58:3) [M+K]+ 0.2584 0.8230 0.7051 0.2459 1.8365 1.5226 0.2653 1.2620 1.4593
TG (58:3) [M+Na]+ 0.1729 0.7894 0.6441 0.1666 2.0902 1.6575 0.1459 1.3004 1.4958
TG (58:3) [M+NH4]+ 0.1739 0.7576 0.6222 0.1739 2.1011 1.6718 0.1971 1.2680 1.5681
TG (58:4) [M+K]+ 0.3587 0.6001 0.5658 0.3005 1.9912 1.5563 0.3887 1.3093 1.4752
TG (58:4) [M+Na]+ 0.1035 0.1710 0.1261 0.1176 2.4285 1.9042 0.0688 1.3838 1.5605
TG (58:4) [M+NH4]+ 0.0967 0.1295 0.1442 0.0912 2.1685 1.6749 0.0855 1.2046 1.4876
TG (58:5) [M+K]+ 0.6414 0.7115 0.6584 0.6039 1.6773 1.4611 0.5738 1.1624 1.1860
TG (58:5) [M+Na]+ 0.2176 0.2710 0.2586 0.2285 2.0191 1.5824 0.1644 1.2562 1.4814
TG (58:5) [M+NH4]+ 0.1744 0.2105 0.2402 0.1529 1.9403 1.5693 0.1206 1.2422 1.4256
TG (58:6) [M+K]+ 0.6498 0.6956 0.6223 0.6440 1.5998 1.3628 0.6589 1.2692 1.3948
TG (58:6) [M+Na]+ 0.5660 0.6991 0.6588 0.5640 1.7011 1.4043 0.4283 1.2595 1.4045
TG (58:6) [M+NH4]+ 0.4781 0.5199 0.5315 0.4769 1.8314 1.5564 0.4126 1.3585 1.5662
TG (58:8) [M+K]+ 0.9044 1.1448 1.1399 0.8966 0.9685 0.9354 0.6254 1.2210 0.8039
TG (58:8) [M+Na]+ 0.8319 1.1745 1.1462 0.8910 1.0149 0.9497 0.6137 1.1741 0.8284
TG (58:8) [M+NH4]+ 0.7783 1.1749 1.1019 0.8218 1.0645 0.9830 0.5977 1.2078 0.9460
TG (58:9) [M+K]+ 0.7910 1.0906 1.3183 0.7084 1.0338 1.0173 0.6103 1.2519 0.8295
TG (58:9) [M+Na]+ 0.7872 1.1643 1.1838 0.8731 1.0042 1.0116 0.6131 1.1063 0.8916
TG (58:9) [M+NH4]+ 0.7344 1.0613 1.0891 0.7800 1.1195 1.1684 0.5590 1.1249 0.9819
TG (59:2) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (59:2) [M+Na]+ 0.6078 1.6794 1.2595 0.5025 1.0470 0.8524 0.4621 1.2763 0.9155
TG (59:2) [M+NH4]+ 0.6744 1.3396 1.1918 0.7256 0.9746 0.9256 0.8706 1.2932 0.9976
TG (59:3) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (59:3) [M+Na]+ NA NA NA NA NA NA NA NA NA
TG (59:3) [M+NH4]+ 0.4251 1.3460 1.0353 0.4117 1.3420 1.1226 0.4977 1.3877 1.1906
TG (60:1) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (60:1) [M+Na]+ 0.5498 1.3879 1.1878 0.5485 1.1256 0.9900 0.5682 1.2470 1.2037
TG (60:1) [M+NH4]+ 0.6297 1.3817 1.1537 0.6622 1.1024 0.8566 0.5518 1.2495 1.2187
TG (60:2) [M+K]+ 0.5592 1.1810 1.0911 0.5184 1.2803 0.9674 0.5339 1.3491 1.2286
TG (60:2) [M+Na]+ 0.3813 1.2803 1.0769 0.3888 1.4202 1.1548 0.4403 1.2607 1.3235
TG (60:2) [M+NH4]+ 0.4301 1.2254 1.0152 0.3941 1.3856 1.1529 0.4399 1.3033 1.4639
TG (60:3) [M+K]+ 0.3409 0.8537 0.7747 0.3464 1.7422 1.4518 0.3327 1.1741 1.3349
TG (60:3) [M+Na]+ 0.1976 0.7974 0.7006 0.1831 2.0473 1.6236 0.0863 1.2767 1.4975
TG (60:3) [M+NH4]+ 0.2084 0.7352 0.5856 0.1954 2.0287 1.6509 0.1387 1.3034 1.5754
TG (60:4) [M+K]+ 0.2613 0.3345 0.3704 0.2772 1.8218 1.5024 NA 1.1399 1.4439
TG (60:4) [M+Na]+ 0.1298 0.3755 0.3264 0.1331 2.2792 1.8456 0.1214 1.3273 1.6458
TG (60:4) [M+NH4]+ 0.1136 0.1811 0.1651 0.1177 1.8598 1.5096 0.0219 1.1001 1.4030
TG (60:5) [M+K]+ 0.3247 0.4509 0.3732 0.4097 1.5110 1.2791 NA 0.9979 1.2508
TG (60:5) [M+Na]+ 0.2724 0.3574 0.3456 0.2566 2.3564 1.7347 0.2586 1.2383 1.4456
TG (60:5) [M+NH4]+ 0.2418 0.3114 0.2755 0.2277 2.0621 1.7431 0.3000 1.2774 1.6849
TG (60:6) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (60:6) [M+Na]+ 0.2643 0.2473 0.2507 0.2394 2.0952 1.7567 0.3516 1.2442 1.5813
TG (60:6) [M+NH4]+ 0.2672 0.2545 0.2473 0.2857 1.8770 1.6007 0.2227 1.0621 1.7057
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]+ 0.9401 1.1493 1.0692 0.8206 1.0090 0.8960 1.0040 1.1513 1.0589
TG (62:2) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (62:2) [M+Na]+ 0.6523 1.1449 0.8959 0.5359 1.4037 1.0633 0.5684 1.3198 1.2141
TG (62:2) [M+NH4]+ 0.6385 1.1056 0.8846 0.5731 1.3581 1.1302 0.5874 1.2245 1.3532
TG (62:3) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (62:3) [M+Na]+ 0.3520 0.7231 0.5879 0.3624 1.9266 1.4910 0.1800 1.3001 1.4517
TG (62:3) [M+NH4]+ 0.3894 0.7059 0.6423 0.4324 1.8612 1.5092 0.4558 1.2604 1.4767
TG (62:4) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (62:4) [M+Na]+ 0.2814 0.3024 0.2746 0.2669 1.6888 1.3477 NA 1.0375 1.3883
TG (62:4) [M+NH4]+ 0.3076 0.3925 0.4042 0.3699 1.6469 1.3376 NA 1.0025 1.2034
TG (64:2) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (64:2) [M+Na]+ NA NA NA NA NA NA NA NA NA
TG (64:2) [M+NH4]+ 1.0144 1.0304 1.0198 0.9893 0.9951 0.9890 1.0262 1.0087 0.9107
TG (64:3) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (64:3) [M+Na]+ 0.4499 0.5203 0.5148 0.4468 1.8421 1.4943 0.3086 1.3668 1.3089
TG (64:3) [M+NH4]+ 0.5144 0.6560 0.5681 0.5925 1.7633 1.4434 0.6546 1.2809 1.3434
TG (64:4) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (64:4) [M+Na]+ NA NA NA NA NA NA NA NA NA
TG (64:4) [M+NH4]+ 0.8025 0.8198 0.7851 0.6976 1.4090 1.2723 0.6334 1.1435 1.2099
Run Hierarchial cluster analysis on this study | Run Heatmap cluster analysis on this study

Factors:

F1Phenotype:CF | Collection Time (hours):0-h
F2Phenotype:CF | Collection Time (hours):2-h
F3Phenotype:CF | Collection Time (hours):4-h
F4Phenotype:GF | Collection Time (hours):0-h
F5Phenotype:GF | Collection Time (hours):2-h
F6Phenotype:GF | Collection Time (hours):4-h
F7Phenotype:NIST | Collection Time (hours):NIST
F8Phenotype:QC | Collection Time (hours):QC
F9Phenotype:Rep | Collection Time (hours):Rep
  logo