Data for Validating Quantitative Untargeted Lipidomics Across Nine Liquid Chromatography−High-Resolution Mass Spectrometry Platforms (part II) (Study ST000984)

(Analysis AN001610)

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 0.9973 0.9965 0.9933 1.0042 0.9974 0.9972 1.0096 1.0105 1.0109
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 0.9945 0.9991 0.9880 0.9998 0.9894 0.9974 1.0314 1.0174 1.0337
1_CE (22:1) [M+Chol-head -H2O+H]+ ISTD 0.9939 1.0003 0.9835 1.0029 0.9838 0.9991 1.0521 1.0129 1.0462
1_CE (22:1) [M+Na]+ ISTD 1.0006 0.9999 0.9928 1.0058 0.9930 0.9925 1.0198 1.0117 1.0110
1_CE (22:1) [M+NH4]+ ISTD 0.9929 0.9965 0.9847 1.0055 0.9884 0.9987 1.0243 1.0131 1.0437
1_Cer (d18:1/17:0) [M+H-H2O]+ ISTD 0.9949 1.0045 0.9932 1.0078 0.9914 0.9962 1.0631 0.9943 1.0208
1_Cer (d18:1/17:0) [M+H]+ ISTD 0.9857 1.0023 1.0005 1.0029 0.9893 1.0064 1.0712 1.0072 1.0012
1_Cer (d18:1/17:0) [M+Na]+ ISTD 0.9820 0.9872 0.9802 1.0008 0.9796 1.0031 1.0272 1.0506 1.0563
1_Cholesterol d7 [M-H2O+H]+ ISTD 1.0000 0.9933 0.9977 1.0276 0.9802 0.9887 1.1310 0.9813 1.0276
1_CUDA [M+H]+ ISTD 0.9932 1.0025 1.0057 1.0071 0.9856 0.9865 1.0955 1.0243 0.9876
1_DG (12:0/12:0/0:0) [M+K]+ ISTD 0.9879 0.9841 0.9641 1.0095 0.9994 1.0197 0.9309 1.0144 1.0570
1_DG (12:0/12:0/0:0) [M+Na]+ ISTD 0.9811 0.9890 0.9882 1.0136 0.9795 1.0046 1.0165 1.0180 1.0582
1_DG (12:0/12:0/0:0) [M+NH4]+ ISTD 0.9842 1.0052 0.9802 0.9962 0.9939 0.9975 1.0643 1.0377 1.0186
1_DG (18:1/2:0/0:0) [M+K]+ ISTD 0.9859 0.9888 0.9795 0.9993 1.0071 1.0007 1.0103 1.0308 1.0275
1_DG (18:1/2:0/0:0) [M+Na]+ ISTD 0.9921 0.9969 0.9888 0.9945 0.9913 0.9977 1.0718 1.0325 1.0177
1_DG (18:1/2:0/0:0) [M+NH4]+ ISTD 0.9964 0.9990 0.9867 0.9854 0.9978 0.9933 1.0692 1.0536 0.9935
1_LPC (17:0) [M+H]+ ISTD 0.9917 0.9993 0.9935 1.0042 0.9863 0.9981 1.0757 1.0158 1.0171
1_LPE (17:1) [M+H]+ ISTD 0.9908 0.9994 0.9944 1.0013 0.9948 0.9984 1.0685 1.0134 1.0094
1_MG (17:0/0:0/0:0) [M+H]+ ISTD 0.9925 0.9840 0.9937 1.0009 0.9892 1.0042 1.0775 1.0217 1.0240
1_MG (17:0/0:0/0:0) [M+Na]+ ISTD 0.9947 0.9980 1.0155 1.0117 0.9805 0.9901 1.0536 1.0705 0.9061
1_PC (12:0/13:0) [M+H]+ ISTD 0.9930 1.0019 0.9797 1.0104 0.9895 1.0053 1.0466 1.0118 1.0124
1_PE (17:0/17:0) [M+H]+ ISTD 0.9902 0.9916 0.9962 1.0101 0.9959 1.0076 1.0796 0.9828 1.0239
1_SM (d18:1/17:0) [M+H]+ ISTD 0.9747 1.0156 1.0022 0.9951 0.9917 1.0079 0.9411 1.0469 0.9679
1_Sphingosine (d17:1) [M+H]+ ISTD 0.9788 0.9883 0.9916 1.0104 0.9762 0.9947 1.1737 1.0538 1.0082
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]+ 1.0132 1.0035 1.0119 1.0292 0.9645 1.0152 1.0405 0.9573 0.9791
1_TG d5 (17:0/17:1/17:0) ISTD [M+NH4]+ 0.9501 1.0161 0.9810 0.9720 1.0223 1.0218 0.9519 1.0048 1.0725
Acylcarnitine (C10:0) [M+H]+ 1.4085 0.8645 1.0557 1.2784 0.8124 0.9154 0.7514 0.6934 0.8388
Acylcarnitine (C10:1) [M+H]+ NA NA NA NA NA NA NA NA NA
Acylcarnitine (C12:0) [M+H]+ 1.2282 1.0236 1.0535 1.0271 0.8528 1.0354 1.0218 0.8274 0.8302
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]+ 1.1303 1.0018 1.0209 1.1515 0.8393 0.9395 1.1659 0.9417 0.9015
Acylcarnitine (C18:2) [M+H]+ 1.0123 0.9241 1.1143 0.9222 0.9674 1.0455 1.2743 0.9366 1.0817
Acylcarnitine (C18:3) [M+H]+ NA NA NA NA NA NA NA NA NA
Acylcarnitine (C8:0) [M+H]+ 1.1250 1.1177 0.8679 0.8770 1.1755 1.1348 1.2132 0.2816 1.4015
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]+ 1.1028 0.9228 0.9857 1.1134 0.9244 1.0139 1.0799 0.9926 0.8586
CE (16:0) [2M+NH4]+ NA NA NA NA NA NA NA NA NA
CE (16:0) [Chol-head -H2O+H]+ 1.0698 0.9899 1.0111 1.0332 0.9474 0.9964 0.8684 1.0466 0.8655
CE (16:0) [M+Chol-head -H2O+H]+ NA NA NA NA NA NA NA NA NA
CE (16:0) [M+Na]+ 1.0859 0.9430 0.9915 1.0594 0.9584 1.0072 1.1186 1.0035 0.8753
CE (16:0) [M+NH4]+ 1.0601 0.9649 1.0077 1.0393 0.9537 1.0003 0.9933 1.0269 0.9105
CE (16:1) [2M+Na]+ 1.0381 0.9451 0.9748 1.1087 0.9326 0.9720 1.6056 1.1501 0.7087
CE (16:1) [2M+NH4]+ NA NA NA NA NA NA NA NA NA
CE (16:1) [Chol-head -H2O+H]+ NA NA NA NA NA NA NA NA NA
CE (16:1) [M+Chol-head -H2O+H]+ NA NA NA NA NA NA NA NA NA
CE (16:1) [M+Na]+ 1.0213 0.9530 0.9926 1.0812 0.9444 0.9579 1.4042 1.1854 0.7433
CE (16:1) [M+NH4]+ 0.9504 0.9814 0.9772 1.0266 0.9702 0.9927 1.2787 1.2065 0.8396
CE (18:0) [2M+Na]+ 1.0495 1.1211 1.0799 0.9421 0.9308 0.9537 0.4935 1.1405 0.7709
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]+ 0.9960 0.9926 1.0522 0.9628 0.9742 1.0243 0.6075 1.1531 0.8524
CE (18:0) [M+NH4]+ NA NA NA NA NA NA NA NA NA
CE (18:1) [2M+Na]+ 1.1507 0.9295 0.9868 1.1174 0.9271 1.0160 0.9819 0.9311 0.8400
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]+ 1.0733 0.9964 1.0284 1.0209 0.9350 0.9941 0.8307 1.0518 0.8700
CE (18:1) [M+Na]+ 1.1202 0.9295 0.9816 1.1078 0.9319 1.0182 1.0277 0.9547 0.8723
CE (18:1) [M+NH4]+ 1.0957 0.9880 1.0183 1.0429 0.9335 1.0023 0.8659 1.0163 0.8449
CE (18:2) [2M+Na]+ 1.1120 0.9586 0.9879 1.0980 0.9598 1.0169 1.0264 0.9237 0.8276
CE (18:2) [2M+NH4]+ NA NA NA NA NA NA NA NA NA
CE (18:2) [Chol-head -H2O+H]+ NA NA NA NA NA NA NA NA NA
CE (18:2) [M+Chol-head -H2O+H]+ 1.0509 1.0138 1.0051 1.0348 0.9534 0.9917 0.8816 1.0456 0.8599
CE (18:2) [M+Na]+ 1.0822 0.9607 0.9952 1.0808 0.9666 1.0142 1.0189 0.9520 0.8563
CE (18:2) [M+NH4]+ 1.0672 0.9929 1.0038 1.0514 0.9516 1.0063 0.9164 1.0173 0.8424
CE (18:3) [2M+Na]+ 1.3449 0.8145 0.7987 1.4889 0.8576 1.1172 1.2258 0.6806 0.4977
CE (18:3) [2M+NH4]+ NA NA NA NA NA NA NA NA NA
CE (18:3) [Chol-head -H2O+H]+ 0.8572 1.0068 0.9593 0.9208 0.9990 1.1425 0.9008 1.1754 0.9730
CE (18:3) [M+Chol-head -H2O+H]+ NA NA NA NA NA NA NA NA NA
CE (18:3) [M+Na]+ 1.2692 0.8187 0.8344 1.4277 0.8920 1.0850 1.2127 0.7796 0.5530
CE (18:3) [M+NH4]+ 0.9047 0.9690 0.9060 0.9931 1.0240 1.1121 0.7950 1.1329 0.9979
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]+ 1.0500 1.0015 1.0134 1.0342 0.9571 0.9981 0.9184 1.0311 0.8632
CE (20:3) [M+Chol-head -H2O+H]+ NA NA NA NA NA NA NA NA NA
CE (20:3) [M+Na]+ 1.4232 0.8828 0.7893 1.0785 0.9422 0.9478 0.9349 0.9879 0.8772
CE (20:3) [M+NH4]+ 1.2410 0.9149 0.9492 1.1534 0.9064 0.9646 1.1230 0.9096 0.8473
CE (20:4) [2M+Na]+ 1.3443 1.0113 1.0343 1.3127 0.7779 0.7929 1.3947 0.8091 0.6842
CE (20:4) [2M+NH4]+ NA NA NA NA NA NA NA NA NA
CE (20:4) [Chol-head -H2O+H]+ 1.0296 1.0630 1.0418 0.9719 0.9461 0.9492 0.8479 1.0957 0.9102
CE (20:4) [M+Chol-head -H2O+H]+ NA NA NA NA NA NA NA NA NA
CE (20:4) [M+Na]+ 1.3022 1.0070 1.0576 1.2491 0.7986 0.8212 1.2755 0.8672 0.6989
CE (20:4) [M+NH4]+ 1.0705 1.0485 1.0512 1.0072 0.9282 0.9282 0.8842 1.0726 0.8743
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]+ 0.7759 1.0075 0.7171 1.1283 1.1016 1.0887 0.7368 1.3560 0.8256
CE (20:5) [M+Chol-head -H2O+H]+ NA NA NA NA NA NA NA NA NA
CE (20:5) [M+Na]+ 1.2278 0.9194 0.9210 1.4570 0.9043 0.9430 0.6832 0.8825 0.4337
CE (20:5) [M+NH4]+ 0.8074 0.9424 0.9244 0.9701 1.1055 1.0984 0.5890 1.3466 0.8310
CE (22:2) [2M+Na]+ 1.0615 0.9879 1.0222 1.0425 0.9257 0.9730 1.0609 1.0336 0.9237
CE (22:2) [2M+NH4]+ NA NA NA NA NA NA NA NA NA
CE (22:2) [Chol-head -H2O+H]+ 1.0079 1.0655 0.9781 0.9991 0.9554 0.9227 0.6373 1.1363 1.0354
CE (22:2) [M+Chol-head -H2O+H]+ NA NA NA NA NA NA NA NA NA
CE (22:2) [M+Na]+ 1.0237 1.0267 1.0218 1.0173 0.9346 0.9696 0.8960 1.0785 0.9315
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]+ 1.2164 0.8863 0.9709 1.3099 0.9033 0.9801 0.7510 0.8636 0.6820
CE (22:6) [M+NH4]+ 0.8586 1.0565 0.9881 0.8882 1.0320 1.0189 0.6062 1.2342 1.0549
Cer (d34:1) [M+H]+ 1.0671 1.0682 1.0071 0.8546 1.0866 1.0608 1.1293 1.0747 0.5581
Cer (d34:1) [M+H-H2O]+ NA NA NA NA NA NA NA NA NA
Cer (d34:1) [M+Na]+ 0.8755 1.0337 1.0236 0.8698 0.9846 0.9832 0.8821 1.1524 1.2865
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]+ NA NA NA NA NA NA NA NA NA
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]+ 0.9787 1.0500 1.0521 0.9566 0.9833 0.9341 0.6426 1.0047 1.1800
Cer (d40:1) [M+H]+ 0.9710 1.0483 1.0795 0.9130 0.9947 0.9833 0.6705 1.0511 1.0314
Cer (d40:1) [M+H-H2O]+ 0.8861 1.0381 1.0763 0.9356 1.0378 0.9814 0.7913 1.0513 1.0632
Cer (d40:1) [M+Na]+ 0.9791 1.0646 1.0551 0.9151 0.9584 0.9772 0.6437 1.0749 1.0897
Cer (d41:1) [M+H]+ 0.9441 1.0488 1.0299 0.9513 1.0064 1.0059 0.6004 1.0754 1.0013
Cer (d41:1) [M+H-H2O]+ 0.8674 1.0761 1.0479 0.9937 0.9909 0.9798 0.6486 1.1021 1.0127
Cer (d41:1) [M+Na]+ 0.9692 1.0380 1.0507 0.9377 0.9796 0.9911 0.6178 1.1081 1.0000
Cer (d42:1) [M+H]+ 0.9856 1.0517 1.0356 0.9328 0.9635 0.9872 0.8197 1.0612 1.0548
Cer (d42:1) [M+H-H2O]+ 0.9625 1.0430 1.0565 0.9451 0.9780 0.9879 0.7597 1.0423 1.0566
Cer (d42:1) [M+Na]+ 0.9742 1.0508 1.0578 0.9511 0.9588 0.9750 0.7733 1.0444 1.0664
Cer (d42:2) A [M+H]+ 0.8930 0.9930 0.9875 0.9500 1.0304 1.1176 0.4406 1.1122 0.9809
Cer (d42:2) A [M+H-H2O]+ NA NA NA NA NA NA NA NA NA
Cer (d42:2) A [M+Na]+ 0.9288 1.0104 0.9618 0.9232 1.0088 1.0893 0.6864 1.1434 0.9988
Cer (d42:2) B [M+H]+ 1.0649 0.9166 1.0994 0.7815 1.1238 1.0062 1.3722 0.9935 0.9684
Cer (d42:2) B [M+H-H2O]+ NA NA NA NA NA NA NA NA NA
Cer (d42:2) B [M+Na]+ 0.9799 1.1181 1.0585 0.9145 0.9455 0.9233 0.6556 1.0758 1.1189
Cholesterol [M-H2O+H]+ 0.9780 1.0118 1.0170 0.9830 0.9846 1.0074 0.8742 1.0546 0.9847
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]+ 0.7013 1.1650 1.1274 0.7459 0.9819 1.0186 1.1061 1.1543 1.3179
DG (34:1) [M+NH4]+ 0.9305 1.0957 1.1341 0.8813 0.8866 1.0443 1.0880 0.9925 1.0862
DG (34:2) [M+K]+ 0.8131 1.0278 1.0554 0.6681 1.0486 1.1430 0.5752 1.0504 1.5255
DG (34:2) [M+Na]+ 0.7852 1.1126 1.1092 0.7697 0.9898 1.1214 0.8004 1.0582 1.2239
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]+ 0.3807 1.4461 1.0503 0.4340 1.3174 1.0712 0.2796 1.4223 1.1466
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]+ 1.0632 1.2074 1.2174 0.7036 0.8814 0.7923 0.2128 1.2232 1.2163
DG (36:2) [M+Na]+ 0.8746 1.1815 1.1394 0.8634 0.9358 0.9070 0.6181 1.1128 1.1626
DG (36:2) [M+NH4]+ 0.9701 1.1307 1.1751 0.9366 0.8729 0.9401 1.0023 1.0000 0.9679
DG (36:3) [M+K]+ 0.7743 1.1592 1.0978 0.7836 0.9897 1.0733 0.5884 1.0761 1.2432
DG (36:3) [M+Na]+ 0.7328 1.1546 1.1514 0.7488 0.9833 1.0950 0.5127 1.0991 1.2516
DG (36:3) [M+NH4]+ 0.7569 1.1558 1.1699 0.7768 0.9971 1.0756 0.5655 1.0537 1.1719
DG (36:4) A [M+K]+ NA NA NA NA NA NA NA NA NA
DG (36:4) A [M+Na]+ 0.6904 1.0480 1.0615 0.7044 1.0678 1.2471 0.5245 1.0615 1.3606
DG (36:4) A [M+NH4]+ 0.6166 1.0680 1.1150 0.6737 1.0965 1.3066 0.5579 1.0558 1.2368
DG (36:4) B [M+K]+ NA NA NA NA NA NA NA NA NA
DG (36:4) B [M+Na]+ 0.4832 0.5224 0.5144 0.5128 1.4189 1.9788 0.5624 1.0238 1.1804
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]+ 0.6691 0.6557 0.6862 0.6740 1.4349 1.7258 0.7580 0.9788 1.2216
DG (36:5) [M+NH4]+ 0.6028 0.6012 0.5993 0.6009 1.4288 1.9370 0.5840 0.9968 1.3544
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]+ 0.8302 1.0564 1.2092 0.9109 0.9653 1.0766 0.7705 0.9080 1.0757
DG (38:5) [M+NH4]+ 0.8826 1.0349 1.0997 0.9297 0.9730 1.0789 0.4946 1.0088 1.0939
DG (38:6) [M+K]+ NA NA NA NA NA NA NA NA NA
DG (38:6) [M+Na]+ NA NA NA NA NA NA NA NA NA
DG (38:6) [M+NH4]+ NA NA NA NA NA NA NA NA NA
Hex2Cer (d34:1) [M+H]+ 0.9777 1.0363 1.0303 0.9659 0.9830 1.0212 0.7467 1.1123 0.8591
Hex2Cer (d34:1) [M-H2O+H]+ NA NA NA NA NA NA NA NA NA
Hex2Cer (d34:1) [M+Na]+ 0.9774 1.0113 1.0523 0.9472 1.0120 0.9962 0.8177 1.1197 0.8731
HexCer (d40:1) [M+H]+ 0.9502 0.9892 1.0607 1.0114 1.0244 0.9550 0.7171 1.0460 1.0079
HexCer (d40:1) [M-H2O+H]+ NA NA NA NA NA NA NA NA NA
HexCer (d40:1) [M+Na]+ 0.9879 0.9830 1.0290 0.9758 1.0095 1.0408 0.8635 1.0230 0.9356
HexCer (d42:1) [M+H]+ 0.9956 0.9742 1.0091 0.9723 1.0076 1.0313 0.8200 1.0575 0.9669
HexCer (d42:1) [M-H2O+H]+ NA NA NA NA NA NA NA NA NA
HexCer (d42:1) [M+Na]+ 0.9369 1.0298 0.9827 1.0155 0.9948 1.0275 0.9202 1.0272 0.9931
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]+ NA NA NA NA NA NA NA NA NA
LPC (14:0) [M+H]+ 0.9362 1.0158 0.9381 0.9936 0.9924 0.9667 1.1707 1.1506 1.0637
LPC (15:0) [M+H]+ 0.9898 1.0718 0.9507 0.9555 1.0467 0.9802 0.8361 1.0539 0.9661
LPC (16:0) [M+H]+ 0.9731 1.0256 0.9402 1.0171 1.0382 0.9641 1.2099 1.0925 0.8989
LPC (16:1) [M+H]+ 0.9818 1.0012 0.9053 1.0482 1.0153 0.9355 1.5320 1.1263 0.9300
LPC (18:0) [M+H]+ 0.9953 1.0183 0.9523 1.0350 1.0145 0.9715 1.1863 1.0643 0.8884
LPC (18:1) [M+H]+ 1.0434 1.0182 0.9363 1.1022 1.0167 0.9496 0.9825 1.0354 0.8038
LPC (18:2) [M+H]+ 0.8856 1.0539 0.9573 1.0023 1.0993 1.0618 0.7640 1.0757 0.7804
LPC (18:3) [M+H]+ 0.6548 0.6988 0.5660 0.6916 1.2585 2.1144 0.6330 0.9583 0.9550
LPC (20:3) [M+H]+ 1.0386 1.0219 0.9034 1.1054 0.9813 0.9406 0.8773 1.0567 0.9517
LPC (20:4) [M+H]+ 1.0577 1.0076 0.8875 1.1258 0.9969 0.9200 1.0065 1.0817 0.8764
LPC (20:5) [M+H]+ 0.9946 0.9202 0.9486 1.1897 1.1724 0.9805 0.7157 0.9181 0.6993
LPC (22:5) [M+H]+ 1.0991 0.9391 0.9847 1.2128 0.9493 0.8908 1.2142 1.0831 0.6704
LPE (18:0) [M+H]+ 0.8574 0.9692 1.0866 0.9813 1.0472 0.9735 1.0090 1.1909 0.8879
LPE (18:2) [M+H]+ 0.6379 1.1738 1.0474 0.7145 1.2294 1.1333 0.8049 1.1625 0.9072
LPE (20:4) [M+H]+ 0.8195 1.0840 0.8985 0.9351 1.0967 1.0079 0.9032 1.1869 1.0476
LPE (22:3) [M+H]+ 0.9937 1.0013 1.0052 1.0201 0.9819 1.0041 1.0052 0.9940 0.9943
LPE (22:6) [M+H]+ NA NA NA NA NA NA NA NA NA
PC (28:0) [M+H]+ 0.7103 1.0005 1.0839 0.7681 0.9026 1.2947 0.6037 1.1574 1.3296
PC (30:0) [M+H]+ 0.9685 0.9977 1.0134 0.9853 0.9672 1.0357 0.6447 1.0737 1.0273
PC (31:0) [M+H]+ 0.9862 1.0353 1.0151 0.9873 1.0126 1.0110 0.2831 1.0766 0.9310
PC (31:1) [M+H]+ NA NA NA NA NA NA NA NA NA
PC (32:0) [M+H]+ 0.9494 0.9938 1.0311 0.9671 0.9956 1.0582 0.7928 1.0989 0.8985
PC (32:1) [M+H]+ 0.9146 0.9745 0.9730 0.9847 0.9998 1.0128 1.0960 1.1723 1.0041
PC (32:2) [M+H]+ 0.9160 1.0009 1.0624 0.9522 0.9768 1.0817 0.6165 1.0244 1.0581
PC (33:0) [M+H]+ 0.9618 1.0288 1.0385 0.9680 0.9861 1.0112 0.5230 1.1009 0.9620
PC (33:1) [M+H]+ 0.9554 1.0315 1.0221 0.9717 0.9929 1.0149 0.5513 1.1084 0.9546
PC (33:2) [M+H]+ 0.9367 1.0374 1.0527 0.9520 1.0081 1.0587 0.4487 1.0679 0.9134
PC (34:0) [M+H]+ 0.9854 1.0006 1.0316 0.9837 0.9888 1.0408 0.6652 1.0746 0.8906
PC (34:1) [M+H]+ 0.9373 1.0044 1.0190 0.9738 0.9949 1.0305 0.8264 1.1276 0.9238
PC (34:2) [M+H]+ 0.8840 1.0141 1.0453 0.9433 1.0179 1.0797 0.7678 1.0992 0.9210
PC (34:3) A [M+H]+ 0.7630 1.0308 1.0800 0.8866 0.9604 1.0657 1.1154 1.5012 0.6697
PC (34:3) B [M+H]+ 0.9140 0.9950 0.9606 1.0275 0.9322 1.0811 0.7886 1.1098 1.0488
PC (34:3) C [M+H]+ 0.2849 0.3344 0.4701 0.3559 1.5019 2.5661 0.0982 1.3119 1.4013
PC (34:4) [M+H]+ 0.9447 1.0051 1.0467 0.9319 0.9553 1.0558 0.6861 1.0491 1.1219
PC (35:1) [M+H]+ 0.9598 1.0555 1.0551 0.9415 0.9930 1.0146 0.5742 1.0888 0.9231
PC (35:2) A [M+H]+ 1.0077 0.9787 1.0833 0.9494 1.0211 1.0641 0.4257 1.0423 0.8359
PC (35:2) B [M+H]+ 0.9046 1.0582 1.0862 0.9183 0.9765 1.0762 0.5443 1.0891 0.9231
PC (35:3) [M+H]+ 0.9008 1.0399 1.0743 0.9390 0.9940 1.0676 0.5661 1.0926 0.9164
PC (35:4) [M+H]+ 0.9565 1.0472 1.0615 0.9499 0.9763 1.0241 0.4915 1.0779 0.9639
PC (36:1) [M+H]+ 0.9145 1.0168 1.0401 0.9466 1.0126 1.0532 0.7673 1.1018 0.9236
PC (36:2) [M+H]+ 0.8610 1.0361 1.0716 0.9113 1.0297 1.0967 0.7097 1.0951 0.8948
PC (36:3) A [M+H]+ 0.8134 0.9908 1.0564 0.9577 1.0315 1.1212 0.7534 1.1257 0.8968
PC (36:3) B [M+H]+ 0.9502 1.0707 1.0619 0.8872 0.9387 1.0007 0.8393 1.1313 1.0512
PC (36:4) A [M+H]+ 0.8654 0.9756 1.0410 0.9891 1.0438 1.1513 0.6467 0.9911 0.9148
PC (36:4) B [M+H]+ 0.7066 0.8677 0.6186 0.8377 1.1534 1.4786 0.9046 1.2147 1.2780
PC (36:4) C [M+H]+ 0.9323 1.0223 1.0294 0.9464 0.9911 1.0363 0.8014 1.1294 0.9353
PC (36:5) A [M+H]+ 0.7141 0.8409 0.9719 0.8865 1.0784 1.7379 0.4509 0.8089 0.7967
PC (36:5) B [M+H]+ NA NA NA NA NA NA NA NA NA
PC (36:5) C [M+H]+ 0.9288 0.9771 1.0352 1.0334 0.9628 0.9781 0.9377 1.1630 0.9423
PC (36:5) D [M+H]+ 0.8534 0.9302 0.9240 1.0474 1.0704 1.0883 0.6415 1.2145 0.8811
PC (36:6) [M+H]+ 0.9290 1.0145 1.0347 0.9694 0.9999 1.0320 0.5124 1.0988 0.9900
PC (37:2) [M+H]+ 0.9088 1.0583 1.0466 0.9278 1.0226 1.0582 0.5934 1.0736 0.9243
PC (37:4) [M+H]+ 1.0084 1.0827 0.9922 0.9673 0.9061 1.2233 0.5014 1.0371 0.6647
PC (37:5) [M+H]+ 0.8951 1.0085 1.0045 0.9831 1.0259 1.0635 0.4609 1.1717 0.8745
PC (37:6) [M+H]+ 0.9436 1.0250 1.0378 0.9782 1.0270 1.0148 0.3720 1.1239 0.8829
PC (38:1) [M+H]+ 0.9697 1.0343 1.0372 0.9603 0.9867 1.0468 0.7111 1.0426 0.9250
PC (38:2) [M+H]+ 0.9366 1.0128 1.0203 0.9492 0.9914 1.0252 0.9388 1.0780 1.0309
PC (38:3) [M+H]+ 0.9312 1.0191 1.0324 0.9254 0.9735 1.0282 0.7907 1.0929 1.0976
PC (38:4) A [M+H]+ 0.9743 1.0274 1.0479 0.9367 0.9446 1.0386 0.7688 1.0650 1.0258
PC (38:4) B [M+H]+ 0.9262 0.9979 0.8962 0.9657 1.0031 1.0521 1.0653 1.1329 1.1012
PC (38:4) C [M+H]+ 0.9349 1.0240 1.0319 0.9471 0.9917 1.0339 0.7805 1.1194 0.9429
PC (38:5) A [M+H]+ 0.9421 1.0220 1.0348 0.9634 0.9908 1.0351 0.7385 1.0979 0.9310
PC (38:5) B [M+H]+ 0.9481 0.9647 1.0165 1.0835 0.9834 1.0681 0.8902 1.1258 0.6776
PC (38:6) A [M+H]+ 0.9606 1.0191 1.0068 0.9887 0.9999 1.0341 0.7258 1.0450 0.9643
PC (38:6) B [M+H]+ 0.9194 0.9948 0.9908 0.9893 1.0137 1.0411 0.6037 1.1819 0.8994
PC (38:6) C [M+H]+ 0.8322 1.0389 1.1458 0.8974 1.0179 1.1361 0.5843 1.0995 0.7871
PC (38:7) [M+H]+ 1.0701 1.1073 1.1195 0.8235 1.0262 0.9917 0.3740 1.2252 0.5426
PC (39:4) [M+H]+ 0.9517 0.9837 1.0615 0.9439 1.0438 1.0405 0.8706 1.0816 0.8473
PC (40:4) [M+H]+ 0.9189 0.9844 1.0112 0.9542 0.9784 1.0141 1.1138 1.0961 1.1212
PC (40:5) A [M+H]+ 0.9101 0.9833 0.9869 0.9715 1.0084 1.0544 0.8175 1.1245 1.0138
PC (40:5) B [M+H]+ 0.9358 1.0077 1.0116 0.9339 0.9817 1.0141 0.9986 1.0827 1.1205
PC (40:6) A [M+H]+ 1.0110 0.9887 1.0327 0.9660 0.9990 0.9945 0.9202 1.0888 0.9069
PC (40:6) B [M+H]+ 0.9039 0.9763 0.9794 0.9876 1.0209 1.0500 0.6727 1.1720 0.9597
PC (40:7) A [M+H]+ 0.8927 1.0302 1.1150 0.8080 0.8988 1.1986 0.4884 1.0706 1.1288
PC (40:7) B [M+H]+ 0.9429 1.0311 1.0451 0.9676 0.9960 1.0469 0.5846 1.1140 0.8508
PC (40:8) [M+H]+ 0.8650 0.9955 1.0074 0.9935 1.0387 1.0965 0.6787 1.0688 0.9421
PC (42:10) [M+H]+ 0.9387 0.9396 0.9945 1.0248 1.0085 1.0764 0.6526 1.1131 0.9128
PC (o-32:0) [M+H]+ 0.9513 1.0023 1.0140 0.9944 1.0173 1.0404 0.8169 1.0724 0.8784
PC (o-34:0) [M+H]+ 0.9873 0.9906 1.0136 0.9795 1.0096 1.0424 0.6809 1.0835 0.8860
PC (p-32:1) or PC (o-32:2) [M+H]+ 0.9566 1.0360 1.0450 0.9457 1.0026 1.0363 0.8794 1.0821 0.8593
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]+ 0.8968 0.9652 0.9541 1.0412 1.0501 1.0793 0.9275 1.1448 0.7896
PC (p-34:2) or PC (o-34:3) [M+H]+ 0.8924 0.9973 0.9996 0.9969 1.0498 1.0871 0.7207 1.1078 0.8211
PC (p-36:1) or PC (o-36:2) A [M+H]+ 0.9573 1.0052 0.9955 1.0126 1.0352 1.0545 0.8809 1.0564 0.7979
PC (p-36:1) or PC (o-36:2) B [M+H]+ 0.9464 0.8793 1.0918 1.2174 1.0319 1.0945 1.2863 0.8908 0.5154
PC (p-36:2) or PC (o-36:3) [M+H]+ 0.9186 1.0125 0.9894 1.0039 1.0356 1.0681 0.7576 1.0744 0.8591
PC (p-36:4) or PC (o-36:5) [M+H]+ 0.9690 1.0483 1.0296 0.9630 0.9882 0.9962 0.7483 1.1526 0.8434
PC (p-36:5) or PC (o-36:6) [M+H]+ 0.9140 0.9683 0.9398 1.0523 1.0546 1.0542 0.5620 1.2775 0.6727
PC (p-38:3) or PC (o-38:4) A [M+H]+ 1.0194 1.0944 1.0414 0.8372 0.9730 1.0568 1.1751 0.9642 1.0007
PC (p-38:3) or PC (o-38:4) B [M+H]+ 0.9883 1.0451 1.0392 0.9732 0.9776 1.0155 0.7232 1.0745 0.8728
PC (p-38:4) or PC (o-38:5) A [M+H]+ 0.9753 1.0255 1.0247 0.9815 0.9922 1.0244 0.7938 1.0908 0.8582
PC (p-38:4) or PC (o-38:5) B [M+H]+ 0.9871 1.0578 1.0492 0.9485 0.9764 1.0020 0.7535 1.1078 0.8601
PC (p-38:5) or PC (o-38:6) A [M+H]+ 0.9314 0.9866 0.9828 1.0164 1.0400 1.0150 0.6441 1.2043 0.8063
PC (p-38:5) or PC (o-38:6) B [M+H]+ 0.9605 1.0148 1.0117 0.9879 1.0003 1.0202 0.8712 1.1033 0.8784
PC (p-38:6) or PC (o-38:7) [M+H]+ 0.9158 1.0017 0.9817 1.0073 1.0419 1.0313 0.5946 1.2045 0.7990
PC (p-40:3) or PC (o-40:4) [M+H]+ 0.9818 1.0413 1.0320 0.9720 0.9873 1.0262 0.6889 1.0673 0.8829
PC (p-40:4) or PC (o-40:5) [M+H]+ 0.9782 1.0363 1.0388 0.9868 0.9817 1.0056 0.7384 1.0751 0.8898
PC (p-40:5) or PC (o-40:6) [M+H]+ 0.9480 0.9979 1.0078 0.9945 1.0190 1.0299 0.6140 1.1545 0.8427
PC (p-40:6) or PC (o-40:7) A [M+H]+ 0.9157 0.9935 1.0007 1.0083 1.0263 1.0612 0.6307 1.1466 0.8233
PC (p-40:6) or PC (o-40:7) B [M+H]+ 0.8625 1.0564 1.0103 0.9509 1.0761 1.0663 0.6031 1.1334 0.8154
PC (p-42:2) or PC (o-42:3) [M+H]+ 0.9625 1.0103 0.9955 1.0545 1.0394 1.0113 0.8467 0.9849 0.8855
PC (p-42:4) or PC (o-42:5) [M+H]+ 0.9622 0.9909 1.0416 1.0143 1.0010 0.9938 0.8096 1.0590 0.9399
PC (p-42:5) or PC (o-42:6) A [M+H]+ 0.9730 1.0352 1.0420 0.9872 0.9101 1.0314 0.8117 1.0446 1.0272
PC (p-42:5) or PC (o-42:6) B [M+H]+ NA NA NA NA NA NA NA NA NA
PC (p-44:4) or PC (o-44:5) [M+H]+ 0.9771 1.0307 1.0298 0.9854 0.9778 1.0108 0.6912 1.0460 0.9748
PE (34:2) [M+H]+ 0.6704 1.1031 1.0485 0.7581 1.1890 1.1402 0.6440 1.1965 0.9404
PE (36:1) [M+H]+ 0.6473 1.1303 1.1364 0.6720 1.2009 1.1196 0.6370 1.2040 0.9553
PE (36:2) [M+H]+ 0.8204 1.0735 1.0313 0.8925 1.1222 1.0668 0.6831 1.1115 0.8666
PE (36:4) [M+H]+ 0.7871 1.0676 0.9862 0.8694 1.1192 1.0328 0.6314 1.2611 0.9531
PE (38:4) [M+H]+ 0.8173 1.0458 1.0118 0.8597 1.1250 1.0596 0.5297 1.2273 0.9058
PE (38:6) [M+H]+ 0.9013 1.0058 0.8572 1.0645 1.1185 0.9879 0.5581 1.2243 0.8471
PE (p-34:1) or PE (o-34:2) [M+H]+ 1.0326 1.0038 0.9484 0.9307 1.0329 1.1244 0.2737 1.1095 0.8180
PE (p-36:1) or PE (o-36:2) [M+H]+ 0.9413 0.9423 1.0923 0.9390 1.0297 1.0914 0.6925 1.0537 0.8973
PE (p-36:2) or PE (o-36:3) [M+H]+ 0.9420 1.0238 1.0527 0.9755 0.9959 1.0452 0.8271 1.0588 0.8729
PE (p-36:4) or PE (o-36:5) [M+H]+ 0.9339 0.9709 1.0504 0.9406 1.0097 1.0705 0.6085 1.2635 0.7267
PE (p-38:4) or PE (o-38:5) [M+H]+ 0.9728 1.0134 1.0848 0.9177 0.9870 1.0589 0.6183 1.1600 0.7743
PE (p-38:5) or PE (o-38:6) [M+H]+ 0.9289 0.9855 1.0207 0.9830 1.0025 1.0864 0.6348 1.1835 0.7693
PE (p-40:4) or PE (o-40:5) A [M+H]+ NA NA NA NA NA NA NA NA NA
PE (p-40:4) or PE (o-40:5) B [M+H]+ 0.9035 0.9668 1.1388 0.8911 1.0347 1.0784 0.6633 1.1453 0.8218
PE (p-40:5) or PE (o-40:6) [M+H]+ 0.8978 0.9353 1.0152 0.9534 1.0378 1.1962 0.3594 1.2457 0.6507
SM (d30:1) [M+H]+ 0.9331 1.0030 1.0115 0.9935 0.9932 1.0499 0.5620 1.0804 0.9914
SM (d32:0) [M+H]+ 0.9637 0.9803 1.0382 1.0070 1.0152 1.0251 0.5119 1.0969 0.8836
SM (d32:1) [M+H]+ 0.9570 1.0282 1.0392 0.9599 0.9935 1.0362 0.5713 1.0769 0.9441
SM (d32:2) [M+H]+ 0.9643 1.0195 0.9912 0.9706 0.9971 1.0539 0.7156 0.9895 1.0750
SM (d33:1) [M+H]+ 0.9739 1.0402 1.0435 0.9708 0.9728 1.0135 0.5879 1.1055 0.9032
SM (d34:0) [M+H]+ 0.9508 1.0072 1.0191 0.9911 0.9987 1.0233 0.8928 1.1204 0.8578
SM (d34:1) [M+H]+ 0.9623 1.0307 1.0278 0.9643 0.9914 1.0219 0.8895 1.1069 0.8693
SM (d34:2) [M+H]+ 0.9705 1.0277 1.0216 0.9785 0.9775 1.0143 0.8833 1.0872 0.9184
SM (d36:0) [M+H]+ 0.9815 0.9981 0.9597 0.9943 1.0070 1.0103 1.0706 1.1563 0.8473
SM (d36:1) [M+H]+ 0.9659 1.0272 1.0116 0.9708 0.9899 1.0093 0.7719 1.1344 0.9007
SM (d36:2) [M+H]+ 0.9642 1.0365 1.0246 0.9606 0.9811 1.0153 0.7419 1.1430 0.8811
SM (d36:3) [M+H]+ 1.0263 1.0620 1.0226 0.9283 0.9611 0.9718 1.1416 1.0758 0.9416
SM (d38:1) [M+H]+ 0.9832 1.0356 1.0471 0.9642 0.9766 1.0062 0.6302 1.0748 0.9464
SM (d38:2) [M+H]+ 0.9657 1.0360 1.0247 0.9698 0.9844 1.0149 0.7532 1.1183 0.8869
SM (d39:1) [M+H]+ 0.9777 1.0441 1.0470 0.9656 0.9857 1.0142 0.5282 1.0843 0.9061
SM (d40:0) [M+H]+ 1.0018 1.0003 1.0664 0.9579 1.0358 1.0001 0.9298 1.0098 0.8757
SM (d40:1) [M+H]+ 0.9757 1.0258 1.0481 0.9657 0.9852 1.0155 0.7959 1.0864 0.8861
SM (d40:2) A [M+H]+ 0.7480 0.9656 1.0774 0.8691 1.0199 1.2183 0.0326 1.2601 0.9852
SM (d40:2) B [M+H]+ 0.9725 1.0350 1.0374 0.9649 0.9882 1.0110 0.7984 1.0700 0.9244
SM (d41:1) [M+H]+ 0.9713 1.0323 1.0234 0.9798 0.9941 1.0215 0.7197 1.1043 0.8558
SM (d41:2) A [M+H]+ 0.9606 1.0272 1.0125 0.9687 1.0000 1.0386 0.5899 1.1416 0.8531
SM (d41:2) B [M+H]+ 0.9653 1.0330 1.0233 0.9738 1.0028 1.0199 0.6702 1.1028 0.8763
SM (d42:1) [M+H]+ 0.9739 1.0198 1.0290 0.9775 0.9879 1.0173 0.8843 1.0804 0.8951
SM (d42:2) [M+H]+ 0.9484 1.0136 1.0125 0.9734 0.9977 1.0425 0.8585 1.1460 0.8306
SM (d42:3) [M+H]+ 0.9414 1.0127 1.0089 0.9775 1.0051 1.0371 0.8320 1.1286 0.8713
SM (d43:1) [M+H]+ 0.9256 1.0476 1.0248 0.9920 1.0104 1.0266 0.6817 1.0970 0.8585
SM (d43:2) [M+H]+ 0.9683 1.0180 1.0226 0.9963 1.0099 1.0178 0.5208 1.1516 0.7979
TG (40:0) [M+K]+ 0.2933 1.5137 1.0297 0.2868 1.3770 0.9990 0.4875 1.5975 1.2038
TG (40:0) [M+Na]+ 0.3497 1.3489 1.1031 0.3451 1.4287 0.9230 0.3949 1.5327 1.3857
TG (40:0) [M+NH4]+ 0.1688 1.5778 1.0588 0.1705 1.4544 1.0885 0.1566 1.6627 1.1943
TG (40:1) [M+K]+ 0.4711 1.5302 1.1315 0.5046 1.0818 0.9852 0.7622 1.1775 0.9046
TG (40:1) [M+Na]+ 0.2331 1.6948 1.1647 0.2282 1.2486 0.9399 0.2482 1.5510 1.1913
TG (40:1) [M+NH4]+ 0.2522 1.6070 1.1400 0.2349 1.2149 0.9447 0.4889 1.5001 1.0789
TG (42:0) [M+K]+ 0.4278 1.5923 1.1669 0.4340 1.1450 0.8955 0.4715 1.4763 1.1732
TG (42:0) [M+Na]+ 0.2902 1.5337 1.0945 0.2802 1.3038 1.0333 0.3715 1.5805 1.2601
TG (42:0) [M+NH4]+ 0.2186 1.3693 0.9848 0.2091 1.5512 1.1785 0.2828 1.5823 1.2593
TG (42:1) [M+K]+ 0.2253 1.6095 1.3438 0.1934 1.1272 0.9541 0.2762 1.4663 1.2046
TG (42:1) [M+Na]+ 0.1268 1.8313 1.2930 0.1172 1.2306 0.9112 0.1870 1.6373 1.0717
TG (42:1) [M+NH4]+ 0.1198 1.8359 1.3250 0.0934 1.2537 0.9545 0.1575 1.6462 1.0838
TG (42:2) [M+K]+ 0.1086 1.3284 0.9358 0.0830 1.3317 0.9484 0.1054 1.4762 1.2202
TG (42:2) [M+Na]+ 0.0596 1.4533 1.0195 0.0463 1.5330 1.0623 0.0803 1.6024 1.3377
TG (42:2) [M+NH4]+ 0.0714 1.4875 1.0846 0.0541 1.4349 1.0564 0.0722 1.4676 1.4474
TG (42:3) [M+K]+ 0.2826 0.7051 0.5308 0.3149 2.0159 1.5776 0.3410 1.2454 1.7281
TG (42:3) [M+Na]+ 0.1476 0.6670 0.4242 0.1235 2.1694 1.6467 0.1672 1.2667 1.7885
TG (42:3) [M+NH4]+ 0.1463 0.7040 0.4569 0.1423 2.1271 1.6152 0.1463 1.2450 1.7290
TG (44:0) [M+K]+ 0.3739 1.3525 1.0197 0.3581 1.3399 1.0279 0.4974 1.6043 1.3049
TG (44:0) [M+Na]+ 0.2787 1.4003 1.0327 0.2632 1.3953 1.0763 0.3583 1.6476 1.3169
TG (44:0) [M+NH4]+ 0.2112 1.4553 1.1238 0.1873 1.4126 1.1690 0.2471 1.5522 1.2501
TG (44:1) [M+K]+ 0.3037 1.7768 1.4801 0.3178 0.9914 0.8490 0.4373 1.4827 1.1192
TG (44:1) [M+Na]+ 0.2472 1.6963 1.3873 0.2384 1.1230 0.9709 0.3190 1.5168 1.1683
TG (44:1) [M+NH4]+ 0.2120 1.5440 1.2694 0.1860 1.3037 1.1182 0.2654 1.5037 1.2032
TG (44:2) [M+K]+ 0.1978 1.4783 1.1219 0.1698 1.3914 1.0736 0.2286 1.5529 1.3720
TG (44:2) [M+Na]+ 0.1508 1.4934 1.1277 0.1313 1.4723 1.1213 0.1590 1.5783 1.3622
TG (44:2) [M+NH4]+ 0.1433 1.4598 1.1213 0.1280 1.5134 1.1582 0.1469 1.5491 1.3391
TG (46:0) [M+K]+ 0.7371 1.0541 1.0179 0.8114 1.1228 1.0247 0.5068 1.1555 1.3377
TG (46:0) [M+Na]+ 0.5820 1.1767 0.9955 0.5391 1.2122 1.0748 0.8309 1.3235 1.4227
TG (46:0) [M+NH4]+ 0.5439 1.2045 1.0287 0.4886 1.1871 1.1239 0.7177 1.3640 1.3969
TG (46:1) [M+K]+ 0.3299 1.4898 1.3001 0.3341 1.1610 0.9885 0.4492 1.5174 1.2306
TG (46:1) [M+Na]+ 0.2987 1.6109 1.1829 0.2826 1.2212 1.0673 0.3719 1.4389 1.2260
TG (46:1) [M+NH4]+ 0.2269 1.6305 1.4282 0.1994 1.1504 1.0781 0.2093 1.4666 1.1456
TG (46:2) [M+K]+ 0.2516 1.5194 1.2469 0.2355 1.2620 1.0153 0.2504 1.5574 1.3499
TG (46:2) [M+Na]+ 0.1799 1.4671 1.1946 0.1578 1.4020 1.1316 0.1657 1.5483 1.3400
TG (46:2) [M+NH4]+ 0.1411 1.3833 1.1430 0.1176 1.5375 1.2688 0.1234 1.4797 1.2881
TG (46:3) A [M+K]+ 0.3609 1.5488 1.2952 0.3471 1.1248 1.0341 0.4161 1.3638 1.1862
TG (46:3) A [M+Na]+ 0.2940 1.5459 1.3176 0.2576 1.2046 1.0713 0.2222 1.4113 1.2500
TG (46:3) A [M+NH4]+ 0.2915 1.4965 1.2497 0.2604 1.2922 1.1191 0.2272 1.3781 1.2344
TG (46:3) B [M+K]+ 0.1447 0.4592 0.3408 0.1538 2.0816 1.7543 0.1196 1.4625 1.9905
TG (46:3) B [M+Na]+ 0.0973 0.1478 0.1149 0.0725 2.3555 1.9591 0.0697 1.4714 2.0681
TG (46:3) B [M+NH4]+ 0.0869 0.2262 0.1424 0.0624 2.1894 1.8040 0.0937 1.2722 1.7641
TG (46:4) A [M+K]+ 0.3422 1.3121 1.0169 0.3279 1.4499 1.1517 0.2888 1.4171 1.3294
TG (46:4) A [M+Na]+ 0.2651 1.3495 0.9936 0.2428 1.5385 1.1326 0.2845 1.4115 1.3494
TG (46:4) A [M+NH4]+ 0.3160 1.2840 0.9127 0.2979 1.3015 1.0098 0.1644 1.3059 1.1163
TG (46:4) B [M+K]+ NA NA NA NA NA NA NA NA NA
TG (46:4) B [M+Na]+ 0.2616 1.6723 1.0805 0.2804 1.2505 1.1464 0.2935 1.2963 1.3778
TG (46:4) B [M+NH4]+ 0.4148 0.6266 0.6070 0.2526 1.3480 1.4541 NA 0.9335 0.8685
TG (46:5) [M+K]+ 0.3654 0.5303 0.4451 0.3751 1.9256 1.3769 0.3605 1.2239 1.5838
TG (46:5) [M+Na]+ 0.3164 0.5143 0.4580 0.2854 1.9716 1.5179 0.2630 1.2444 1.5776
TG (46:5) [M+NH4]+ 0.3468 0.6195 0.4866 0.3412 1.9426 1.4686 0.2120 1.2209 1.5337
TG (48:0) [M+K]+ 0.7448 1.0111 0.9688 0.7244 1.1138 1.1081 1.2472 1.2154 1.2963
TG (48:0) [M+Na]+ 0.7018 0.9990 0.9307 0.6874 1.1286 1.1471 1.2551 1.2745 1.3554
TG (48:0) [M+NH4]+ 0.5954 1.1474 1.0137 0.5645 1.1358 1.1429 0.8376 1.3081 1.4020
TG (48:1) [M+K]+ 0.7026 1.1642 1.0719 0.6906 1.0410 0.9718 0.8138 1.2128 1.4931
TG (48:1) [M+Na]+ 0.6707 1.1904 1.0966 0.6387 1.0519 0.9745 0.7440 1.2491 1.4988
TG (48:1) [M+NH4]+ 0.6569 1.2045 1.1289 0.6219 1.0362 1.0118 0.6597 1.2541 1.4326
TG (48:2) [M+K]+ 0.6916 1.6386 1.1451 0.5446 0.9283 0.7784 0.5363 1.3579 1.2522
TG (48:2) [M+Na]+ 0.5515 1.3439 1.2043 0.5248 1.0583 1.0026 0.4884 1.3500 1.2894
TG (48:2) [M+NH4]+ 0.4727 1.4329 1.3003 0.4122 1.0684 1.0880 0.2952 1.2577 1.2916
TG (48:3) [M+K]+ 0.3207 1.5661 1.4202 0.2936 1.1148 0.9798 0.2581 1.4448 1.2134
TG (48:3) [M+Na]+ 0.2365 1.6015 1.4010 0.2124 1.1931 1.0384 0.1725 1.4659 1.2123
TG (48:3) [M+NH4]+ 0.1903 1.6112 1.3789 0.1512 1.3050 1.1327 0.1257 1.3844 1.1418
TG (48:4) A [M+K]+ 0.1293 1.5039 1.2674 0.1218 1.3732 1.1482 0.0790 1.5328 1.3686
TG (48:4) A [M+Na]+ 0.1008 1.4077 1.1711 0.0888 1.5347 1.2343 0.0721 1.5149 1.3669
TG (48:4) A [M+NH4]+ 0.0950 1.2896 1.0650 0.0905 1.6394 1.3079 0.0658 1.4588 1.3344
TG (48:4) B [M+K]+ 0.1440 0.4200 0.3720 0.2327 2.2456 1.9645 0.1756 0.4896 1.8474
TG (48:4) B [M+Na]+ 0.2162 0.3952 0.3920 0.1099 2.0632 1.8081 0.1286 0.6163 2.0489
TG (48:4) B [M+NH4]+ 0.1450 0.4904 0.3789 0.1808 2.0983 2.0699 0.1114 0.3352 1.4189
TG (48:5) [M+K]+ 0.0946 0.4999 0.3896 0.1010 2.2684 1.7906 0.0777 1.4856 1.9358
TG (48:5) [M+Na]+ 0.0591 0.4624 0.3497 0.0532 2.3690 1.8123 0.0364 1.3908 1.9590
TG (48:5) [M+NH4]+ 0.0582 0.4217 0.3291 0.0520 2.4207 1.8421 0.0368 1.3273 1.9078
TG (48:6) [M+K]+ 0.1240 0.1756 0.1812 0.1212 1.7391 1.4945 NA 1.0005 1.5148
TG (48:6) [M+Na]+ 0.1282 0.1650 0.1496 0.1210 1.9617 1.6816 0.0914 1.1143 1.6818
TG (48:6) [M+NH4]+ 0.0943 0.1406 0.1400 0.0894 1.8010 1.4920 0.0846 1.0094 1.4820
TG (49:0) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (49:0) [M+Na]+ 0.9172 1.0863 0.9225 0.8946 1.0060 0.9257 0.8348 1.1465 1.3434
TG (49:0) [M+NH4]+ 0.9108 1.0833 0.9007 0.8952 1.0529 0.9228 0.7599 1.1150 1.3702
TG (49:1) [M+K]+ 1.0035 1.0957 0.9695 0.9892 0.9033 0.8383 0.7498 1.1394 1.2961
TG (49:1) [M+Na]+ 0.9404 1.1102 0.9630 0.9305 0.9545 0.8716 0.5904 1.1613 1.3483
TG (49:1) [M+NH4]+ 0.8456 1.2156 0.9785 0.8263 1.0764 0.9603 0.3925 0.9652 1.3957
TG (49:2) [M+K]+ 1.0457 1.2081 1.0423 1.0259 0.8379 0.7573 0.6336 1.0745 1.2027
TG (49:2) [M+Na]+ 1.0356 1.1688 1.0245 0.9678 0.8839 0.7574 0.6109 1.1334 1.2795
TG (49:2) [M+NH4]+ 0.8544 1.1289 0.9744 0.7813 1.0496 0.9951 0.3978 1.1306 1.3919
TG (49:3) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (49:3) [M+Na]+ 0.9256 1.1930 1.0594 0.9083 0.9135 0.8049 0.4540 1.1463 1.3551
TG (49:3) [M+NH4]+ 0.7740 1.0777 0.9486 0.6727 1.1440 1.1355 0.3379 1.1046 1.4798
TG (50:0) [M+K]+ 0.8259 1.0236 0.9114 0.8303 1.0461 1.0196 1.2203 1.1826 1.3891
TG (50:0) [M+Na]+ 0.7121 1.0875 0.9176 0.7117 1.1212 1.0555 1.0492 1.2537 1.4207
TG (50:0) [M+NH4]+ 0.5201 1.1860 0.9471 0.5198 1.2477 1.2140 0.6876 1.2163 1.4722
TG (50:1) [M+K]+ 0.8345 1.0423 0.9731 0.8653 1.0456 0.9848 1.0606 1.1556 1.2842
TG (50:1) [M+Na]+ 0.8108 1.0484 0.9634 0.8307 1.0536 0.9695 1.0122 1.2127 1.3548
TG (50:1) [M+NH4]+ 0.6857 1.1879 1.0647 0.6954 1.0479 0.9767 0.7016 1.2674 1.3981
TG (50:2) [M+K]+ 0.8378 1.0913 0.9971 0.8313 1.0619 0.9410 0.8802 1.1625 1.2925
TG (50:2) [M+Na]+ 0.8040 1.1081 0.9971 0.7969 1.0646 0.9418 0.8172 1.1838 1.3755
TG (50:2) [M+NH4]+ 0.8091 1.2594 1.2114 0.6830 1.0513 0.7603 0.7959 1.1689 1.3395
TG (50:3) A [M+K]+ 0.8634 1.0851 1.0549 0.8646 1.0048 0.9408 0.8468 1.1410 1.2300
TG (50:3) A [M+Na]+ 0.7681 1.1138 1.0712 0.7606 1.0214 1.0009 0.6494 1.2094 1.3279
TG (50:3) A [M+NH4]+ 0.6554 1.2222 1.1674 0.6146 1.0644 1.0931 0.4041 1.1196 1.3512
TG (50:3) B [M+K]+ 0.4814 0.4967 0.7252 0.4662 1.3460 1.2446 0.5689 1.1338 1.1771
TG (50:3) B [M+Na]+ 0.1699 0.1455 0.1488 0.1423 2.0868 2.1073 0.0936 1.7214 2.2305
TG (50:3) B [M+NH4]+ 0.3526 0.4392 0.3702 0.3147 2.2765 2.8592 0.3031 0.4056 0.2474
TG (50:4) [M+K]+ 0.6415 1.0982 1.0999 0.6164 1.1203 1.1419 0.4472 1.2113 1.3815
TG (50:4) [M+Na]+ 0.5865 1.1547 1.1126 0.5593 1.1429 1.2040 0.3483 1.1569 1.3936
TG (50:4) [M+NH4]+ 0.5659 1.2004 1.1425 0.5175 1.1644 1.2576 0.2699 1.0698 1.3568
TG (50:5) [M+K]+ 0.4389 0.7456 0.6951 0.3979 1.6082 1.6855 0.2627 1.1757 1.6031
TG (50:5) [M+Na]+ 0.3799 0.7063 0.6520 0.3479 1.7148 1.7851 0.2035 1.1254 1.6295
TG (50:5) [M+NH4]+ 0.3551 0.6987 0.6294 0.3104 1.7763 1.8494 0.1979 1.0813 1.6124
TG (50:6) [M+K]+ 0.3343 0.7265 0.6810 0.3529 1.6020 1.6638 0.3924 1.2156 1.5593
TG (50:6) [M+Na]+ 0.2475 0.6705 0.6615 0.2416 1.8197 1.8154 0.1874 1.2759 1.6610
TG (50:6) [M+NH4]+ 0.2263 0.6458 0.6395 0.2350 1.8638 1.8478 0.1719 1.2498 1.6088
TG (51:1) [M+K]+ 0.9128 1.1195 0.9278 0.9266 0.9851 0.8793 0.7061 1.1611 1.3567
TG (51:1) [M+Na]+ 1.0532 1.1939 0.9430 1.0082 0.9824 0.7350 0.7809 1.0055 1.2592
TG (51:1) [M+NH4]+ 0.8369 1.1271 0.9163 0.8663 1.0733 0.9262 0.4291 1.1609 1.4076
TG (51:2) [M+K]+ 1.0402 1.1441 0.9999 1.0038 0.9232 0.7873 0.6587 1.1043 1.1716
TG (51:2) [M+Na]+ 0.9783 1.1236 0.9780 0.9723 0.9608 0.8519 0.5249 1.1407 1.1972
TG (51:2) [M+NH4]+ 0.8431 1.0884 0.9407 0.8405 1.0853 1.0036 0.3787 1.1300 1.3402
TG (51:3) [M+K]+ 1.0052 1.1803 1.0692 0.9889 0.8702 0.8266 0.5710 1.0718 1.1602
TG (51:3) [M+Na]+ 0.9320 1.1527 1.0362 0.9136 0.9534 0.9054 0.4954 1.0905 1.2244
TG (51:3) [M+NH4]+ 0.7729 1.0695 0.9710 0.7515 1.1334 1.1195 0.3556 1.0804 1.3717
TG (51:4) [M+K]+ 0.9509 1.1350 1.0672 0.9566 0.8821 0.9452 0.6028 1.0268 1.2085
TG (51:4) [M+Na]+ 0.8481 1.1160 1.0444 0.8780 0.9781 1.0115 0.4021 1.0733 1.2840
TG (51:4) [M+NH4]+ 0.7363 1.0606 0.9924 0.7210 1.1625 1.1981 0.3117 1.0211 1.3477
TG (51:5) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (51:5) [M+Na]+ NA NA NA NA NA NA NA NA NA
TG (51:5) [M+NH4]+ 0.7090 0.9483 0.9416 0.5892 1.2275 1.5009 0.5073 0.9761 1.2377
TG (52:0) [M+K]+ 0.8805 1.1576 0.9472 0.8744 1.0273 0.8971 1.0160 1.1323 1.2704
TG (52:0) [M+Na]+ 0.7988 1.1675 0.9080 0.7886 1.1039 0.9753 0.8598 1.1562 1.3361
TG (52:0) [M+NH4]+ 0.6720 1.1276 0.8671 0.6498 1.2431 1.0784 0.7971 1.1327 1.5713
TG (52:1) [M+K]+ 0.8112 1.1231 0.9754 0.8517 1.0430 0.9138 1.0273 1.2168 1.2712
TG (52:1) [M+Na]+ 0.6873 1.1841 0.9861 0.7256 1.1063 0.9532 0.8413 1.2950 1.3473
TG (52:1) [M+NH4]+ 0.4926 1.2621 1.0157 0.5314 1.2319 1.0817 0.5650 1.3042 1.4308
TG (52:2) [M+K]+ 1.0009 1.0225 1.0066 1.0089 0.9968 0.9365 0.8942 1.0279 1.0464
TG (52:2) [M+Na]+ 0.9388 1.0669 1.0149 0.9436 1.0018 0.9155 0.8086 1.1092 1.1393
TG (52:2) [M+NH4]+ 0.8136 1.2025 1.0838 0.8215 1.0036 0.8944 0.6000 1.2079 1.1857
TG (52:3) [M+K]+ 1.0116 0.9351 0.9525 1.0330 1.0005 1.0075 1.0314 0.9938 1.1143
TG (52:3) [M+Na]+ 0.8924 1.0264 1.0033 0.9148 1.0231 0.9904 0.8110 1.1081 1.1889
TG (52:3) [M+NH4]+ 0.7259 1.1594 1.0879 0.7495 1.0536 1.0061 0.5409 1.1975 1.2690
TG (52:4) [M+K]+ 0.9178 0.9585 0.9901 0.9470 1.0147 1.0525 0.9073 1.0632 1.1597
TG (52:4) [M+Na]+ 0.7890 1.0124 1.0152 0.8195 1.0612 1.0956 0.7027 1.1335 1.2784
TG (52:4) [M+NH4]+ 0.5998 1.1351 1.0719 0.6338 1.1596 1.1956 0.3717 1.1453 1.3185
TG (52:5) [M+K]+ 0.6097 0.7003 0.7306 0.6243 1.3782 1.5467 0.5104 1.2229 1.4741
TG (52:5) [M+Na]+ 0.6939 0.9145 0.9349 0.6811 1.2580 1.4381 0.4845 0.9800 1.2165
TG (52:5) [M+NH4]+ 0.3855 0.6686 0.6153 0.3869 1.7672 1.9409 0.2065 0.9671 1.4601
TG (52:6) [M+K]+ 0.4608 0.5534 0.5249 0.4414 1.6880 1.7170 0.2900 1.2803 1.7811
TG (52:6) [M+Na]+ 0.3231 0.4482 0.4605 0.2903 1.9214 1.8923 0.2533 1.2838 1.8313
TG (52:6) [M+NH4]+ 0.2754 0.3579 0.4018 0.2258 2.1197 2.0403 0.1811 1.1963 1.7502
TG (53:0) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (53:0) [M+Na]+ 0.8428 0.8529 0.9652 1.1236 1.1149 0.9077 0.2419 1.2252 1.1705
TG (53:0) [M+NH4]+ 0.9264 1.1078 0.9333 0.8895 1.0716 0.9273 0.8390 1.0502 1.2676
TG (53:1) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (53:1) [M+Na]+ 0.8319 1.1538 0.8679 0.8680 1.1142 0.9038 0.6253 1.1830 1.3439
TG (53:1) [M+NH4]+ 0.6992 1.0006 0.8646 0.7721 1.2169 0.9833 0.6125 1.2761 1.5957
TG (53:2) [M+K]+ 0.9520 1.1516 0.9847 0.9484 0.9858 0.8480 0.6191 1.1531 1.1494
TG (53:2) [M+Na]+ 0.9323 1.1367 0.9814 0.9401 0.9988 0.8764 0.5051 1.1739 1.1437
TG (53:2) [M+NH4]+ 0.7817 1.1564 0.9202 0.9781 1.0436 0.8671 0.2980 1.1501 1.4434
TG (53:3) [M+K]+ 0.9240 1.1415 1.0250 0.9359 0.9737 0.9166 0.5766 1.0930 1.1465
TG (53:3) [M+Na]+ 0.9037 1.1530 0.9983 0.8755 1.0130 0.9398 0.4958 1.1327 1.1695
TG (53:3) [M+NH4]+ 0.7960 1.1035 0.9747 0.8004 1.1148 1.0273 0.3924 1.1450 1.2822
TG (53:4) [M+K]+ 0.8776 1.1229 1.0437 0.8857 0.9926 0.9685 0.5890 1.1027 1.1768
TG (53:4) [M+Na]+ 0.8245 1.1133 1.0082 0.8469 1.0359 1.0225 0.5233 1.1412 1.1997
TG (53:4) [M+NH4]+ 0.7660 1.0965 0.9743 0.7848 1.0690 1.1358 0.4470 1.1221 1.2766
TG (54:0) [M+K]+ 0.8007 0.8280 1.0331 0.8497 1.2112 0.9308 1.1985 1.3491 1.1314
TG (54:0) [M+Na]+ 1.0021 0.8687 0.9198 0.7263 1.2942 0.8911 0.5158 1.1205 1.5295
TG (54:0) [M+NH4]+ 0.5769 1.1277 1.0178 0.5737 1.3100 1.1200 0.5256 1.2035 1.3367
TG (54:1) [M+K]+ 0.6019 1.3565 1.0602 0.5950 1.1467 0.9330 0.7796 1.3229 1.2381
TG (54:1) [M+Na]+ 0.5281 1.3544 1.0131 0.5444 1.2467 0.9774 0.6833 1.3372 1.2754
TG (54:1) [M+NH4]+ 0.4395 1.2877 0.9527 0.4566 1.3451 1.1003 0.5462 1.3060 1.4875
TG (54:2) [M+K]+ 0.7582 1.2940 1.1336 0.7769 1.0355 0.8868 0.6819 1.2062 1.0444
TG (54:2) [M+Na]+ 0.6341 1.3552 1.1281 0.6620 1.1054 0.9174 0.5860 1.2946 1.0993
TG (54:2) [M+NH4]+ 0.4460 1.4295 1.1419 0.4799 1.2145 1.0134 0.4087 1.3479 1.2045
TG (54:3) [M+K]+ 0.7371 1.3050 1.1957 0.7898 1.0123 0.9328 0.8056 1.1201 0.9668
TG (54:3) [M+Na]+ 0.6707 1.3849 1.1947 0.6779 1.0778 0.9100 0.5963 1.1927 1.0267
TG (54:3) [M+NH4]+ 0.6140 1.4971 1.2812 0.6137 1.0178 0.8680 0.4685 1.2851 0.9949
TG (54:4) [M+K]+ 0.7283 1.2041 1.1337 0.7532 1.0622 1.0111 0.7435 1.1597 1.0613
TG (54:4) [M+Na]+ 0.6279 1.3516 1.2355 0.6451 1.0497 0.9587 0.5848 1.2634 1.0203
TG (54:4) [M+NH4]+ 0.4542 1.5907 1.3553 0.4875 1.0363 0.9090 0.3431 1.3600 1.0388
TG (54:5) A [M+K]+ 0.4993 1.3177 1.2101 0.5986 1.1788 1.0516 0.5945 1.2097 1.0883
TG (54:5) A [M+Na]+ 0.4513 1.3511 1.2117 0.4956 1.1645 1.0477 0.4580 1.3633 1.1781
TG (54:5) A [M+NH4]+ 0.3436 1.4441 1.2334 0.3946 1.2311 1.0898 0.2758 1.3742 1.1672
TG (54:5) B [M+K]+ 0.5553 0.6722 0.6773 0.5485 1.5194 1.4616 0.5460 1.3858 1.5377
TG (54:5) B [M+Na]+ 0.8251 1.1099 1.0943 0.8281 0.8425 0.8388 0.8255 1.3188 1.5774
TG (54:5) B [M+NH4]+ 0.7507 1.0846 1.0780 0.7340 0.9557 1.1260 0.6695 1.1762 1.3809
TG (54:6) A [M+K]+ 0.4564 1.2222 1.1431 0.4997 1.2611 1.0583 0.3944 1.3822 1.3026
TG (54:6) A [M+Na]+ 0.3844 1.2324 1.0664 0.4462 1.3529 1.0946 0.3288 1.4341 1.3506
TG (54:6) A [M+NH4]+ 0.2902 1.1016 0.9139 0.3490 1.4693 1.6212 0.1971 1.2303 1.2369
TG (54:6) B [M+K]+ 0.3376 0.4963 0.5169 0.3161 1.8390 1.6211 0.2471 1.6623 1.7479
TG (54:6) B [M+Na]+ 0.0536 0.0878 0.1268 0.0674 2.6054 2.3684 0.0421 0.8094 2.4505
TG (54:6) B [M+NH4]+ NA NA NA NA NA NA NA NA NA
TG (54:6) C [M+K]+ NA NA NA NA NA NA NA NA NA
TG (54:6) C [M+Na]+ 0.7337 0.9333 0.9262 0.7606 1.1032 1.2451 0.7539 1.1265 1.4336
TG (54:6) C [M+NH4]+ 0.5988 1.0247 1.0317 0.5889 1.1945 1.3576 0.4548 1.0645 1.3918
TG (54:7) A [M+K]+ 0.2385 0.5314 0.4726 0.2726 1.9827 1.7061 0.1974 1.4427 1.8961
TG (54:7) A [M+Na]+ 0.1726 0.4220 0.3692 0.2018 2.2336 1.8121 0.1226 1.3900 1.9184
TG (54:7) A [M+NH4]+ 0.1623 0.4181 0.3253 0.2008 2.4862 1.7996 0.1447 1.1956 1.7956
TG (54:7) B [M+K]+ 0.5005 0.5669 0.5575 0.5312 1.6985 1.9652 0.1921 0.9031 1.4284
TG (54:7) B [M+Na]+ 0.3299 0.4568 0.4454 0.3784 1.8784 2.1497 0.2842 1.0146 1.5628
TG (54:7) B [M+NH4]+ 0.1708 0.2214 0.2089 0.1820 2.2794 2.2456 0.0801 1.2967 1.7815
TG (54:8) [M+K]+ 0.3508 0.4544 0.4577 0.3831 1.7717 1.8920 0.2774 1.2188 1.6800
TG (54:8) [M+Na]+ 0.3294 0.5356 0.4693 0.3489 1.8552 2.0670 0.2647 0.9890 1.6986
TG (54:8) [M+NH4]+ 0.0464 0.0573 0.0515 0.0482 2.2141 2.0661 0.0351 1.1231 1.6867
TG (54:9) [M+K]+ 0.1024 0.1243 0.1273 0.1198 1.4685 1.8486 0.0761 0.9802 1.4073
TG (54:9) [M+Na]+ 0.0232 NA NA NA 1.0551 1.3153 NA 0.6134 0.9605
TG (54:9) [M+NH4]+ 0.0515 0.0831 0.0460 0.0530 1.4104 1.7015 NA 0.7556 1.1788
TG (55:1) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (55:1) [M+Na]+ 0.8911 1.2808 1.0428 0.6882 1.1003 0.9273 0.8157 1.1518 1.0050
TG (55:1) [M+NH4]+ 0.6780 1.3224 1.0378 0.6677 1.1407 0.9357 0.6151 1.2193 1.2345
TG (55:2) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (55:2) [M+Na]+ 0.7835 1.1168 0.9883 0.8513 1.0947 1.0148 0.6838 1.1296 1.1630
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]+ 0.8175 1.2321 0.9460 0.8287 1.0881 0.8963 0.4838 1.2368 1.1680
TG (55:3) [M+NH4]+ 0.8322 1.1577 0.9335 0.7750 1.1582 0.9655 0.5421 1.1985 1.1698
TG (56:0) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (56:0) [M+Na]+ 0.4586 1.3546 1.1460 0.4232 1.3243 1.0805 0.3906 1.2362 1.2274
TG (56:0) [M+NH4]+ 0.5929 1.3547 1.1107 0.5647 1.1807 0.9218 0.4878 1.2534 1.3378
TG (56:10) [M+K]+ 0.4827 0.4925 0.5144 0.4934 1.5533 2.1917 0.5112 1.0191 1.3167
TG (56:10) [M+Na]+ 0.3533 0.3113 0.4764 0.3773 1.5192 2.1970 0.3767 0.9416 1.1689
TG (56:10) [M+NH4]+ 0.5158 0.5935 0.6479 0.5547 1.4542 2.0689 0.4357 0.9840 1.2513
TG (56:1) [M+K]+ 0.3838 1.3803 1.0657 0.3293 1.2296 1.0447 0.4661 1.4121 1.3160
TG (56:1) [M+Na]+ 0.2978 1.4218 1.0756 0.2954 1.3506 1.1399 0.3994 1.4229 1.3665
TG (56:1) [M+NH4]+ 0.3945 0.9187 0.8293 0.3676 1.6638 1.3493 0.3882 1.3519 1.4718
TG (56:2) [M+K]+ 0.3871 1.0442 0.9995 0.4357 1.6790 1.3208 0.4789 1.0262 1.1889
TG (56:2) [M+Na]+ 0.2367 1.1231 0.8805 0.2548 1.6469 1.3674 0.2737 1.4154 1.4496
TG (56:2) [M+NH4]+ 0.1743 1.0237 0.7859 0.1911 1.8002 1.4815 0.2184 1.3408 1.6373
TG (56:3) [M+K]+ 0.4483 0.9134 0.7770 0.4493 1.5959 1.3420 0.3894 1.3329 1.4934
TG (56:3) [M+Na]+ 0.3491 0.8488 0.7158 0.3434 1.7621 1.4382 0.2613 1.4032 1.5194
TG (56:3) [M+NH4]+ 0.2375 0.7535 0.6269 0.2424 1.9661 1.5625 0.1862 1.3966 1.6360
TG (56:4) [M+K]+ 0.8612 1.0448 1.0469 0.9074 1.0589 0.9232 0.7620 1.1370 1.1793
TG (56:4) [M+Na]+ 0.7826 0.8551 0.8792 0.7329 1.6411 1.2508 0.5136 0.8343 0.9374
TG (56:4) [M+NH4]+ 0.3399 0.6575 0.6140 0.3549 1.8961 1.5125 0.2645 1.4093 1.6306
TG (56:5) A [M+K]+ 0.8287 1.0440 1.0165 0.8390 1.0565 1.0205 0.6858 1.1469 1.2489
TG (56:5) A [M+Na]+ NA NA NA NA NA NA NA NA NA
TG (56:5) A [M+NH4]+ 0.3973 0.6796 0.6064 0.4410 1.7491 1.5274 0.3387 1.3335 1.6206
TG (56:5) B [M+K]+ 0.7796 0.8404 0.8306 0.7677 1.2501 1.1868 0.7843 1.2209 1.3605
TG (56:5) B [M+Na]+ 0.6808 0.8532 0.7928 0.6805 1.3110 1.2821 0.5858 1.2434 1.4621
TG (56:5) B [M+NH4]+ 0.6503 0.7427 0.6522 0.5901 1.4388 1.2366 0.5062 1.3322 1.9259
TG (56:5) C [M+K]+ 0.8347 1.0689 1.1031 0.8991 0.9917 0.9298 0.7487 1.2179 1.1047
TG (56:5) C [M+Na]+ 0.8473 1.0583 1.0690 0.8733 1.0323 0.9998 0.6769 1.1802 1.0533
TG (56:5) C [M+NH4]+ 0.7343 1.1500 1.0968 0.7773 1.0459 0.9753 0.5396 1.3093 1.1091
TG (56:6) [M+K]+ 0.8447 0.9921 0.9669 0.8820 1.0974 1.0398 0.6459 1.0734 1.3111
TG (56:6) [M+Na]+ 0.8285 0.9786 1.2883 0.8325 0.7162 2.0262 0.1747 0.4578 0.5229
TG (56:6) [M+NH4]+ 0.6213 0.8953 0.8640 0.6586 1.1511 1.5997 0.4235 1.1300 1.2585
TG (56:7) A [M+K]+ 0.9152 0.8966 0.9617 1.0081 1.0235 1.1230 0.8289 0.9831 1.1727
TG (56:7) A [M+Na]+ 0.7547 1.0075 1.0110 0.8400 1.0677 1.1600 0.6382 1.0890 1.2437
TG (56:7) A [M+NH4]+ 0.6074 1.1187 1.0977 0.6577 1.1161 1.2354 0.4339 1.1068 1.2851
TG (56:7) B [M+K]+ 0.9530 1.1015 1.0023 1.1099 0.9288 0.8453 0.7670 1.0752 1.0601
TG (56:7) B [M+Na]+ 0.8740 1.0796 0.9243 1.0647 0.9301 0.9765 0.7084 1.0923 1.2276
TG (56:7) B [M+NH4]+ 0.7511 1.0606 0.9699 0.8068 1.0817 1.0536 0.4620 1.2904 1.2362
TG (56:8) A [M+K]+ 0.7376 0.9641 0.9899 0.8641 1.0682 1.2344 0.6861 1.1018 1.1601
TG (56:8) A [M+Na]+ 0.6208 1.0607 1.0469 0.7615 1.0752 1.2607 0.5611 1.1124 1.2479
TG (56:8) A [M+NH4]+ 0.6136 1.0764 1.0614 0.6996 1.1771 1.2587 0.4607 1.0577 1.2206
TG (56:8) B [M+K]+ 0.9793 1.1079 1.1093 1.0654 0.8670 0.8587 0.8039 1.0546 1.0238
TG (56:8) B [M+Na]+ 0.8270 1.0428 1.0231 0.9108 0.9987 1.0373 0.5982 1.1851 1.1341
TG (56:8) B [M+NH4]+ 0.6422 0.7168 0.7057 0.5650 1.1724 1.6550 0.4372 1.5665 1.7009
TG (56:9) [M+K]+ 0.5624 0.6876 0.6777 0.6331 1.3881 1.8294 0.5304 1.0593 1.2783
TG (56:9) [M+Na]+ 0.4841 0.6090 0.6160 0.5128 1.5157 2.0043 0.2193 1.0865 1.3361
TG (56:9) [M+NH4]+ 0.5245 0.6325 0.5903 0.5586 1.5180 2.0019 0.3845 1.0030 1.2511
TG (57:1) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (57:1) [M+Na]+ NA NA NA NA NA NA NA NA NA
TG (57:1) [M+NH4]+ 0.5126 1.5203 1.0351 0.5529 1.1477 0.9686 0.1550 1.1583 1.5231
TG (57:2) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (57:2) [M+Na]+ 0.6922 1.2563 1.0794 0.6876 1.1129 1.0293 0.6413 1.1838 1.1145
TG (57:2) [M+NH4]+ 0.4747 1.3804 1.0955 0.4872 1.2721 1.0478 0.3108 1.2925 1.2222
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]+ 0.8520 1.1377 1.0075 0.8412 1.0343 0.9638 0.8686 0.9880 1.4033
TG (58:10) [M+K]+ 0.8782 1.0621 1.0225 1.0116 0.9508 1.0519 0.9081 1.0371 1.0054
TG (58:10) [M+Na]+ 0.7474 1.0562 1.0183 0.8751 1.0490 1.1417 0.8181 1.1272 1.0569
TG (58:10) [M+NH4]+ 0.6713 0.9786 0.9417 0.8105 1.1686 1.2494 0.6847 1.1570 1.1415
TG (58:1) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (58:1) [M+Na]+ 0.3704 1.5122 1.1534 0.3597 1.2170 1.0333 0.5200 1.3328 1.3828
TG (58:1) [M+NH4]+ 0.3827 1.5041 1.1238 0.3526 1.1909 1.0306 0.4328 1.2631 1.6349
TG (58:2) [M+K]+ 0.3190 1.0299 0.7884 0.3031 1.6369 1.3114 0.3254 1.3398 1.5202
TG (58:2) [M+Na]+ 0.2471 0.9144 0.7542 0.2727 1.5891 1.5841 0.3112 1.3588 1.7872
TG (58:2) [M+NH4]+ 0.2229 0.8403 0.6637 0.2226 1.8855 1.6548 0.2723 1.2686 1.6106
TG (58:3) [M+K]+ 0.2150 0.7683 0.6232 0.2084 1.9410 1.5425 0.2860 1.4445 1.7409
TG (58:3) [M+Na]+ 0.1494 0.8365 0.6633 0.1477 1.9889 1.5986 0.1835 1.3555 1.7143
TG (58:3) [M+NH4]+ 0.1320 0.7209 0.5641 0.1290 2.1248 1.6946 0.1799 1.2491 1.8698
TG (58:4) [M+K]+ 0.3279 0.6958 0.5442 0.3577 1.8987 1.6002 0.3316 1.2435 1.7483
TG (58:4) [M+Na]+ 0.1113 0.1926 0.1600 0.1343 2.3329 1.8257 0.1091 1.4261 1.9170
TG (58:4) [M+NH4]+ 0.0832 0.1765 0.1556 0.0903 2.5577 1.9640 0.0825 1.4030 2.0202
TG (58:5) [M+K]+ 0.7435 1.3804 1.1996 0.7461 1.0279 0.8630 0.6207 1.1512 1.0007
TG (58:5) [M+Na]+ 0.1614 0.2712 0.2538 0.2188 2.0032 1.6480 0.1939 1.1768 1.8083
TG (58:5) [M+NH4]+ 0.1962 0.2656 0.2419 0.2045 2.3258 1.8570 0.2386 1.5101 1.9276
TG (58:6) [M+K]+ 0.5561 0.6666 0.6606 0.6233 1.5869 1.3954 0.5440 1.3080 1.5301
TG (58:6) [M+Na]+ 0.5056 0.6779 0.6450 0.5479 1.6218 1.4181 0.4569 1.3498 1.6337
TG (58:6) [M+NH4]+ 0.3659 0.4717 0.4518 0.3892 1.9133 1.6174 0.4735 1.4232 1.8680
TG (58:8) [M+K]+ 0.9264 1.1756 1.1393 1.0281 0.9254 0.8718 0.7566 1.0753 0.8247
TG (58:8) [M+Na]+ 0.8482 1.1769 1.0804 0.9203 0.9933 0.8882 0.6153 1.2411 0.9401
TG (58:8) [M+NH4]+ 0.7186 1.1223 1.0585 0.7559 1.0965 1.0334 0.5187 1.3241 1.0622
TG (58:9) [M+K]+ 0.9579 1.2788 1.2768 1.1045 0.7614 0.7686 0.8942 1.0137 0.7777
TG (58:9) [M+Na]+ 0.7679 1.1588 1.0981 0.8931 0.9791 1.0032 0.7400 1.1753 1.0131
TG (58:9) [M+NH4]+ 0.6067 0.9688 0.9380 0.6802 1.2558 1.2806 0.4772 1.2579 1.2144
TG (59:2) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (59:2) [M+Na]+ 0.6149 1.5112 1.1450 0.6000 1.0593 1.0458 NA 1.0238 0.9141
TG (59:2) [M+NH4]+ 0.3432 1.6874 1.2170 0.4807 1.0605 0.9324 0.2515 1.1324 1.5104
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]+ 0.3565 1.3584 1.1177 0.3150 1.3735 1.1520 0.3026 1.3825 1.2515
TG (60:1) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (60:1) [M+Na]+ NA NA NA NA NA NA NA NA NA
TG (60:1) [M+NH4]+ 0.5176 1.4476 1.1019 0.4606 1.1033 0.9008 0.5602 1.2426 1.6652
TG (60:2) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (60:2) [M+Na]+ 0.3161 1.2278 0.9410 0.2856 1.5144 1.1717 0.3449 1.3271 1.5930
TG (60:2) [M+NH4]+ 0.2818 1.2545 0.9533 0.2145 1.4842 1.2214 0.2906 1.2561 1.8825
TG (60:3) [M+K]+ 0.3172 0.7397 0.6655 0.2653 1.8341 1.5163 0.2420 1.2889 1.6353
TG (60:3) [M+Na]+ 0.1529 0.6974 0.5828 0.1553 2.1109 1.6512 0.1580 1.3578 1.7474
TG (60:3) [M+NH4]+ 0.1409 0.6805 0.5410 0.1110 2.0850 1.7265 0.1313 1.2150 2.0110
TG (60:4) [M+K]+ 0.1147 0.2453 0.1954 0.1247 1.6864 1.5078 0.0722 1.2302 1.3504
TG (60:4) [M+Na]+ 0.1170 0.3376 0.2862 0.1256 2.3527 1.9268 0.1037 1.4189 1.9781
TG (60:4) [M+NH4]+ 0.0673 0.1274 0.1355 0.0844 2.1657 1.7490 0.1025 1.1899 1.8890
TG (60:5) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (60:5) [M+Na]+ 0.1591 0.2564 0.2392 0.1725 2.2961 1.9600 0.1622 1.5272 1.8404
TG (60:5) [M+NH4]+ 0.1733 0.2735 0.2386 0.1834 2.1818 1.9063 0.1566 1.4226 2.1217
TG (60:6) [M+K]+ 0.3116 0.4134 0.2268 0.3075 1.9004 1.7146 0.3507 1.1948 1.6177
TG (60:6) [M+Na]+ 0.1697 0.2051 0.2016 0.1892 2.0523 1.7291 0.1663 1.3028 1.7205
TG (60:6) [M+NH4]+ 0.1710 0.2527 0.1935 0.1989 2.0222 1.7163 0.1294 1.2421 1.8317
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]+ NA NA NA NA NA NA NA NA NA
TG (62:2) [M+NH4]+ 0.3804 1.0152 0.8651 0.4006 1.4571 1.2610 0.4649 1.2008 1.8878
TG (62:3) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (62:3) [M+Na]+ 0.3095 0.4668 0.3866 0.2924 1.9351 1.4968 0.3450 1.0882 1.6941
TG (62:3) [M+NH4]+ 0.2379 0.6144 0.5431 0.2473 1.9925 1.6553 0.1842 1.1705 1.9959
TG (62:4) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (62:4) [M+Na]+ 0.1562 0.3058 0.2779 0.2081 1.8647 1.5541 0.2563 1.1952 1.5951
TG (62:4) [M+NH4]+ 0.1884 0.2169 0.2738 0.1961 1.9348 1.5785 0.1787 1.1147 1.8111
TG (64:2) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (64:2) [M+Na]+ 1.0036 0.9951 1.0001 1.0037 0.9965 0.9991 1.0476 1.0132 0.9745
TG (64:2) [M+NH4]+ 0.9756 0.9982 0.9763 0.9969 0.9956 1.0063 1.0739 1.0108 1.0716
TG (64:3) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (64:3) [M+Na]+ NA NA NA NA NA NA NA NA NA
TG (64:3) [M+NH4]+ 0.2861 0.3162 0.3791 0.3173 2.0818 1.7393 0.2224 1.0501 2.0511
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]+ NA NA NA NA NA NA NA NA NA
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
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