Data for Validating Quantitative Untargeted Lipidomics Across Nine Liquid Chromatography−High-Resolution Mass Spectrometry Platforms (part IX) (Study ST000991)

(Analysis AN001617)

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 0.9610 1.0061 1.0570 1.0030 0.9588 0.9620 1.1449 1.0300 1.0454
1_CE (22:1) [2M+NH4]+ ISTD 1.0146 0.9629 1.0000 1.0395 0.9593 0.9844 0.9026 1.0205 1.0706
1_CE (22:1) [Chol-head -H2O+H]+ ISTD 1.0399 1.0201 0.9632 0.9412 0.9880 0.9695 1.0413 1.1028 1.0142
1_CE (22:1) [M+Chol-head -H2O+H]+ ISTD 1.0030 0.9943 0.9735 0.9589 1.0303 0.9925 0.9876 1.0633 1.0064
1_CE (22:1) [M+Na]+ ISTD 1.1067 0.9780 0.9464 0.9014 1.0246 0.9835 1.1519 1.0841 0.9802
1_CE (22:1) [M+NH4]+ ISTD 1.0324 0.9796 0.9990 0.9642 0.9837 0.9996 1.0140 1.0373 1.0350
1_Cer (d18:1/17:0) [M+H-H2O]+ ISTD 0.9967 0.9726 1.0129 0.9825 0.9878 0.9975 0.9537 1.0467 1.0453
1_Cer (d18:1/17:0) [M+H]+ ISTD 0.9860 0.9742 1.0097 0.9808 0.9996 0.9994 0.9018 1.0409 1.0629
1_Cer (d18:1/17:0) [M+Na]+ ISTD 1.0046 0.9626 0.9794 0.9883 0.9997 1.0081 0.9087 1.0254 1.0955
1_Cholesterol d7 [M-H2O+H]+ ISTD 0.9617 0.9499 0.9685 0.9926 1.0234 0.9972 1.3015 1.0164 1.1257
1_CUDA [M+H]+ ISTD 0.9898 0.9862 1.0029 0.9860 0.9886 1.0157 0.9890 1.0166 1.0409
1_DG (12:0/12:0/0:0) [M+K]+ ISTD 0.9820 0.9903 0.9354 0.9663 0.9872 0.9835 0.9920 1.0613 1.2330
1_DG (12:0/12:0/0:0) [M+Na]+ ISTD 0.9628 0.9846 0.9588 0.9830 0.9977 0.9814 0.9886 1.0463 1.2038
1_DG (12:0/12:0/0:0) [M+NH4]+ ISTD 0.9830 0.9785 0.9790 0.9766 1.0090 1.0057 0.9835 1.0349 1.0893
1_DG (18:1/2:0/0:0) [M+K]+ ISTD 0.9906 0.9844 0.9962 0.9717 0.9893 1.0026 0.9417 1.0207 1.1183
1_DG (18:1/2:0/0:0) [M+Na]+ ISTD 0.9933 0.9787 1.0020 0.9654 0.9927 1.0078 0.9225 1.0182 1.1152
1_DG (18:1/2:0/0:0) [M+NH4]+ ISTD 0.9970 0.9978 1.0025 0.9571 0.9912 1.0059 1.0076 1.0171 1.0791
1_LPC (17:0) [M+H]+ ISTD 1.0013 0.9888 1.0077 0.9921 0.9903 1.0019 0.9984 1.0121 1.0210
1_LPE (17:1) [M+H]+ ISTD 1.0042 0.9762 0.9937 0.9868 1.0054 0.9936 0.9977 1.0138 1.0632
1_MG (17:0/0:0/0:0) [M+H]+ ISTD 0.9999 0.9815 1.0249 0.9848 0.9955 1.0025 1.0183 0.9954 1.0285
1_MG (17:0/0:0/0:0) [M+Na]+ ISTD 1.0226 0.9756 1.0138 0.9751 0.9931 1.0105 0.9404 0.9805 1.0638
1_PC (12:0/13:0) [M+H]+ ISTD 0.9601 0.9746 1.0345 0.9700 0.9770 0.9568 0.9746 1.1034 1.1234
1_PE (17:0/17:0) [M+H]+ ISTD 0.9991 0.9891 1.0094 0.9851 0.9949 0.9949 0.9426 1.0014 1.0693
1_SM (d18:1/17:0) [M+H]+ ISTD 0.9970 1.0290 1.0095 0.9823 0.9687 0.9750 0.8625 1.0775 1.0032
1_Sphingosine (d17:1) [M+H]+ ISTD 0.9973 0.9993 0.9973 0.9909 0.9726 0.9964 0.9268 1.0289 1.0718
1_TG d5 (17:0/17:1/17:0) ISTD [M+K]+ 1.2690 1.0345 1.0276 1.1494 1.0345 0.9103 NA 0.7724 1.0345
1_TG d5 (17:0/17:1/17:0) ISTD [M+Na]+ 0.9602 0.9571 0.9556 1.0473 1.0376 0.9852 0.9978 0.9978 1.1037
1_TG d5 (17:0/17:1/17:0) ISTD [M+NH4]+ 1.0120 0.9732 1.0051 1.0001 0.9858 0.9750 0.9234 1.0302 1.0756
Acylcarnitine (C10:0) [M+H]+ 1.3106 0.9153 1.0095 1.4198 0.7905 0.8737 0.3120 0.5041 0.8841
Acylcarnitine (C10:1) [M+H]+ NA NA NA NA NA NA NA NA NA
Acylcarnitine (C12:0) [M+H]+ 1.2130 0.8148 0.9649 1.2143 0.7595 1.0476 NA 0.9429 0.9952
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]+ 1.1353 0.9257 1.0567 1.1750 0.8733 0.9130 0.8733 0.9781 0.9082
Acylcarnitine (C18:2) [M+H]+ 0.9298 0.9157 1.0285 1.0246 0.9990 1.1399 0.9862 0.9768 0.9298
Acylcarnitine (C18:3) [M+H]+ NA NA NA NA NA NA NA NA NA
Acylcarnitine (C8:0) [M+H]+ NA NA NA NA NA NA NA NA NA
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]+ NA NA NA NA NA NA NA NA NA
CE (16:0) [2M+NH4]+ 1.1299 0.9154 0.9633 1.0708 0.9622 1.0372 0.9743 1.0298 0.7889
CE (16:0) [Chol-head -H2O+H]+ 1.1294 0.9457 0.9719 1.0658 0.9680 0.9960 0.9991 0.9941 0.8497
CE (16:0) [M+Chol-head -H2O+H]+ NA NA NA NA NA NA NA NA NA
CE (16:0) [M+Na]+ NA NA NA NA NA NA NA NA NA
CE (16:0) [M+NH4]+ 1.0967 0.9400 0.9698 1.0368 1.0055 0.9984 0.9243 1.0570 0.8272
CE (16:1) [2M+Na]+ 0.9460 1.3665 0.6832 0.8409 1.1825 0.9460 NA 1.2263 0.6307
CE (16:1) [2M+NH4]+ 0.9805 0.9838 0.9583 1.0053 1.0154 0.9257 0.5879 1.3473 0.8341
CE (16:1) [Chol-head -H2O+H]+ 0.9949 1.0245 0.9908 1.0041 0.9692 0.9774 0.9752 1.0897 0.9584
CE (16:1) [M+Chol-head -H2O+H]+ NA NA NA NA NA NA NA NA NA
CE (16:1) [M+Na]+ NA NA NA NA NA NA NA NA NA
CE (16:1) [M+NH4]+ 0.9867 0.9909 1.0067 1.0075 0.9681 0.9729 0.7508 1.2422 0.8312
CE (18:0) [2M+Na]+ NA NA NA NA NA NA NA NA NA
CE (18:0) [2M+NH4]+ 0.8814 1.1350 1.1287 1.2585 0.8501 1.0970 NA 0.8434 0.6794
CE (18:0) [Chol-head -H2O+H]+ 0.9993 1.0528 1.0441 0.9268 0.9926 0.8493 0.6797 1.2456 1.0123
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]+ 0.9744 0.9833 0.9215 1.1304 0.9700 0.9620 0.7937 1.0641 1.0494
CE (18:1) [2M+Na]+ 1.2345 0.9265 0.9846 1.1617 1.0434 1.1352 0.6662 0.6150 0.4303
CE (18:1) [2M+NH4]+ 1.1804 0.9671 1.0162 1.0959 0.9441 1.0266 0.7495 0.9262 0.6870
CE (18:1) [Chol-head -H2O+H]+ NA NA NA NA NA NA NA NA NA
CE (18:1) [M+Chol-head -H2O+H]+ 1.1157 1.0301 0.9720 1.0084 0.9864 0.9218 0.6781 1.1001 0.8622
CE (18:1) [M+Na]+ 1.0937 1.1081 1.0036 1.1335 0.9724 1.0565 1.0036 0.7422 0.6347
CE (18:1) [M+NH4]+ 1.1363 0.9834 1.0095 1.0495 0.9822 0.9652 0.9013 0.9981 0.7711
CE (18:2) [2M+Na]+ 1.0577 1.0189 1.0142 0.9995 0.9744 0.9691 0.9466 1.0419 0.8914
CE (18:2) [2M+NH4]+ 1.0644 0.9635 1.0392 1.0498 0.9948 0.9324 1.0369 1.0221 0.8759
CE (18:2) [Chol-head -H2O+H]+ 0.9662 0.8802 0.9095 1.0765 1.0101 1.0810 0.6999 1.1498 0.9545
CE (18:2) [M+Chol-head -H2O+H]+ 1.0168 1.0432 0.9940 0.9956 0.9426 1.0031 0.8754 1.0955 0.9028
CE (18:2) [M+Na]+ 1.1457 1.0293 1.0148 0.9817 0.9017 0.9441 1.2168 1.1684 0.7041
CE (18:2) [M+NH4]+ 1.0157 1.0086 1.0153 1.0014 0.9696 0.9666 0.9476 1.0922 0.9306
CE (18:3) [2M+Na]+ NA NA NA NA NA NA NA NA NA
CE (18:3) [2M+NH4]+ 1.0696 1.0078 0.8933 1.1687 1.0091 1.0320 0.4094 0.9876 0.7518
CE (18:3) [Chol-head -H2O+H]+ NA NA NA NA NA NA NA NA NA
CE (18:3) [M+Chol-head -H2O+H]+ NA NA NA NA NA NA NA NA NA
CE (18:3) [M+Na]+ NA NA NA NA NA NA NA NA NA
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]+ 0.8995 0.9348 0.9965 1.0702 1.0863 1.0662 1.0141 0.9700 0.8907
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]+ NA NA NA NA NA NA NA NA NA
CE (20:3) [M+NH4]+ 1.2031 0.9537 0.9919 1.1072 0.9185 0.9458 0.8946 0.9629 0.8421
CE (20:4) [2M+Na]+ 1.2438 1.1426 0.9622 1.1105 0.9548 1.1366 0.4691 0.5309 0.6495
CE (20:4) [2M+NH4]+ 1.3386 1.0698 1.0490 1.0452 0.8439 0.9235 0.9192 0.8744 0.7018
CE (20:4) [Chol-head -H2O+H]+ 1.1364 0.9879 1.0040 1.1084 0.9417 0.9171 0.8424 0.9833 0.8720
CE (20:4) [M+Chol-head -H2O+H]+ NA NA NA NA NA NA NA NA NA
CE (20:4) [M+Na]+ 1.1832 0.9872 0.9576 1.2639 0.8975 0.9244 1.2756 0.8972 0.6544
CE (20:4) [M+NH4]+ 1.1498 0.9950 0.9965 1.0897 0.9315 0.9163 0.8698 1.0157 0.8575
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]+ 0.9146 1.0190 0.8732 1.0574 1.0047 0.9444 0.3480 1.4316 0.8550
CE (20:5) [M+Chol-head -H2O+H]+ NA NA NA NA NA NA NA NA NA
CE (20:5) [M+Na]+ 1.2800 1.1589 0.9201 1.0188 1.0033 1.1312 0.1574 0.7764 0.5396
CE (20:5) [M+NH4]+ 0.8971 0.9502 0.9324 1.0038 1.0891 1.0315 0.3965 1.3262 0.7982
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]+ 1.0373 0.9374 0.9787 0.9892 1.0195 1.0007 0.9200 1.0638 0.9929
CE (22:6) [2M+Na]+ NA NA NA NA NA NA NA NA NA
CE (22:6) [2M+NH4]+ NA NA NA NA NA NA NA NA NA
CE (22:6) [Chol-head -H2O+H]+ 0.9907 0.7724 0.9335 1.0663 1.1906 1.0335 0.5722 0.9946 1.0617
CE (22:6) [M+Chol-head -H2O+H]+ NA NA NA NA NA NA NA NA NA
CE (22:6) [M+Na]+ 1.1289 1.1664 0.8236 1.0719 1.0416 0.8947 0.7110 0.9797 0.8532
CE (22:6) [M+NH4]+ 0.9411 0.9498 0.9684 0.9437 1.0470 1.0228 0.4388 1.2590 0.9754
Cer (d34:1) [M+H]+ NA NA NA NA NA NA NA NA NA
Cer (d34:1) [M+H-H2O]+ 0.9310 1.0862 0.3103 0.6207 NA 0.6207 NA 1.7069 NA
Cer (d34:1) [M+Na]+ NA NA NA NA NA NA NA NA NA
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]+ NA NA NA NA NA NA NA NA NA
Cer (d40:1) [M+H]+ 0.9486 1.1234 1.0716 0.9035 0.9595 0.9271 0.5180 1.1223 1.0878
Cer (d40:1) [M+H-H2O]+ 0.9641 1.0619 1.1178 0.9146 0.8892 0.9717 0.6288 1.0712 1.1737
Cer (d40:1) [M+Na]+ 0.8578 1.1775 1.0450 0.9783 0.9287 0.9641 0.3899 1.1749 0.9826
Cer (d41:1) [M+H]+ 0.9563 1.0585 1.0618 0.9023 0.9742 1.0162 0.3957 1.1255 1.0156
Cer (d41:1) [M+H-H2O]+ 0.8793 1.0312 1.1271 0.9810 0.9738 0.9956 0.5596 1.0658 1.0232
Cer (d41:1) [M+Na]+ 0.8506 0.9923 1.2444 0.8926 1.0167 0.9952 0.5513 1.1131 0.9451
Cer (d42:1) [M+H]+ 0.9681 1.0392 1.0871 0.9124 0.9760 0.9592 0.6871 1.0928 1.0699
Cer (d42:1) [M+H-H2O]+ 0.9778 1.0432 1.0313 0.9727 0.9646 0.9565 0.6538 1.0937 1.0580
Cer (d42:1) [M+Na]+ 0.9523 1.0478 1.1243 0.8947 0.9352 0.9815 0.8599 1.0701 1.0892
Cer (d42:2) A [M+H]+ 0.9499 0.9849 0.9722 0.9070 1.0287 1.0866 0.4781 1.1900 0.9563
Cer (d42:2) A [M+H-H2O]+ 0.9910 1.0793 0.8482 1.0253 1.0338 1.0931 0.6525 1.0564 0.8202
Cer (d42:2) A [M+Na]+ 0.9505 0.9866 1.1204 0.9874 0.9729 0.9635 0.5017 1.2040 0.8361
Cer (d42:2) B [M+H]+ 0.9871 1.0554 1.1131 0.9165 0.9355 0.9642 0.5251 1.0011 1.1866
Cer (d42:2) B [M+H-H2O]+ NA NA NA NA NA NA NA NA NA
Cer (d42:2) B [M+Na]+ 1.0152 1.2000 1.0152 1.0271 1.0271 0.8865 0.6729 0.9271 0.8523
Cholesterol [M-H2O+H]+ 1.0010 0.9973 1.0180 1.0007 0.9831 0.9961 0.9426 0.9981 1.0263
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]+ 0.8673 0.9486 0.9012 0.8932 1.0780 1.0718 1.1519 1.1203 1.2603
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]+ 0.8988 1.0703 1.1117 0.7507 1.0418 0.9448 1.0673 1.1085 1.2583
DG (34:0) [M+K]+ 0.9153 0.9992 0.9610 0.9985 0.9361 0.9707 0.9915 1.1288 1.2661
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]+ 0.7828 0.9963 1.0052 0.9542 0.9825 0.9502 1.6456 1.1208 1.3699
DG (34:1) [M+Na]+ 0.7261 1.1815 1.1226 0.7529 0.9277 0.8671 1.8055 1.2927 1.3345
DG (34:1) [M+NH4]+ 0.8242 1.0984 1.0757 0.8525 1.0369 0.9292 1.2006 1.1336 1.1617
DG (34:2) [M+K]+ 0.9442 0.9960 0.9630 0.8455 1.1302 1.0788 0.9654 0.9355 1.1773
DG (34:2) [M+Na]+ 0.7901 1.0336 0.9937 0.7111 1.1137 1.1101 1.3169 1.1919 1.1573
DG (34:2) [M+NH4]+ 0.7326 1.0423 1.0643 0.7518 1.0991 1.0719 1.2891 1.1424 1.2200
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]+ 1.0170 1.0453 0.9391 0.8553 0.9656 1.0609 0.5181 0.9556 1.3471
DG (36:0) [M+K]+ 1.1150 0.9795 0.9601 0.8869 0.9467 0.8904 0.8517 1.1769 1.2621
DG (36:0) [M+Na]+ NA NA NA NA NA NA NA NA NA
DG (36:0) [M+NH4]+ 1.0205 0.9735 0.9686 0.9682 0.9771 0.9614 0.9884 1.1828 1.0081
DG (36:1) [M+K]+ 0.4803 1.2641 1.0266 0.4346 1.0007 1.0078 0.3202 1.1955 0.8166
DG (36:1) [M+Na]+ NA NA NA NA NA NA NA NA NA
DG (36:1) [M+NH4]+ 0.8430 1.1844 1.0381 0.7537 1.0134 0.9564 1.0451 1.2169 1.1426
DG (36:2) [M+K]+ 0.9109 1.1124 1.0500 0.8739 1.0241 0.9453 0.6247 1.1205 1.0923
DG (36:2) [M+Na]+ 0.8693 1.1455 1.1591 0.8306 0.9390 0.9019 0.6136 1.2091 1.1386
DG (36:2) [M+NH4]+ 0.9100 1.1383 1.1538 0.8658 0.9370 0.9051 0.4403 1.1372 1.1448
DG (36:3) [M+K]+ 0.7956 1.1066 1.1409 0.7358 1.0413 1.0351 0.4801 1.1188 1.2529
DG (36:3) [M+Na]+ 0.7756 1.0979 1.1852 0.8034 0.9962 1.0208 0.7486 1.0813 1.2060
DG (36:3) [M+NH4]+ 0.7452 1.1275 1.1921 0.7629 1.0106 1.0549 0.6283 1.0923 1.1839
DG (36:4) A [M+K]+ 0.8456 1.0359 1.0404 0.8291 1.0384 1.1188 0.7083 1.0035 1.2396
DG (36:4) A [M+Na]+ 0.7538 0.9368 1.0088 0.6999 1.1013 1.1992 0.6461 1.2419 1.2491
DG (36:4) A [M+NH4]+ 0.6958 1.0245 1.0952 0.7340 1.1162 1.2132 0.5333 1.0633 1.2279
DG (36:4) B [M+K]+ 0.6506 0.8781 0.9031 0.7306 1.2315 1.5168 0.1531 1.0613 1.1480
DG (36:4) B [M+Na]+ NA NA NA NA NA NA NA NA NA
DG (36:4) B [M+NH4]+ 0.4908 0.6384 0.6097 0.5217 1.4705 1.9922 0.3587 1.0234 1.3988
DG (36:5) [M+K]+ 0.7315 0.8366 0.7315 0.5644 1.4815 1.5944 0.5185 0.8395 1.0815
DG (36:5) [M+Na]+ NA NA NA NA NA NA NA NA NA
DG (36:5) [M+NH4]+ 0.2548 0.1905 0.3209 0.2471 1.4774 1.9535 0.0566 0.7323 1.2740
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]+ 0.1028 0.1713 NA 0.2055 1.1561 1.3873 NA 0.5432 1.0482
DG (38:5) [M+K]+ 0.8421 1.0480 0.9357 1.0779 0.9263 1.1228 NA 0.9544 0.8982
DG (38:5) [M+Na]+ NA NA NA NA NA NA NA NA NA
DG (38:5) [M+NH4]+ 0.6354 1.1036 1.3293 0.7107 0.8931 1.1857 0.6270 1.0479 1.3293
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]+ 0.6784 0.9427 1.1492 0.7146 0.9444 1.2811 0.6733 1.2120 1.2601
Hex2Cer (d34:1) [M+H]+ 0.9895 1.0214 1.0038 1.0048 0.9758 0.9896 0.9484 1.0564 0.9618
Hex2Cer (d34:1) [M-H2O+H]+ NA NA NA NA NA NA NA NA NA
Hex2Cer (d34:1) [M+Na]+ 1.0042 1.0667 1.0667 0.9413 0.9535 0.9941 0.8703 1.0533 0.9150
HexCer (d40:1) [M+H]+ 0.9621 0.9891 1.0429 0.9542 1.0765 0.9725 0.8074 0.9958 1.0496
HexCer (d40:1) [M-H2O+H]+ NA NA NA NA NA NA NA NA NA
HexCer (d40:1) [M+Na]+ NA NA NA NA NA NA NA NA NA
HexCer (d42:1) [M+H]+ 0.9046 1.0131 0.9304 1.0385 1.0667 1.0526 0.5169 1.0958 0.9097
HexCer (d42:1) [M-H2O+H]+ NA NA NA NA NA NA NA NA NA
HexCer (d42:1) [M+Na]+ NA NA NA NA NA NA NA NA NA
HexCer (d42:2) [M+H]+ 0.9760 1.0031 0.9322 0.9612 1.0187 1.0351 0.5422 1.1929 0.9398
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]+ 0.9480 1.0231 0.9856 0.9898 1.0197 0.9984 0.9387 1.0263 1.0419
LPC (15:0) [M+H]+ 1.0047 1.0200 0.9996 0.9968 1.0200 0.9690 1.0200 1.0268 0.9384
LPC (16:0) [M+H]+ 0.9718 1.0035 0.9581 1.0039 1.0232 0.9641 1.7027 1.0563 0.9276
LPC (16:1) [M+H]+ 0.9887 0.9958 0.9354 1.0378 1.0411 0.9635 0.9958 1.0954 0.9247
LPC (18:0) [M+H]+ 0.9859 1.0061 0.9570 1.0051 1.0093 0.9501 2.0847 1.0453 0.8952
LPC (18:1) [M+H]+ 1.0457 1.0074 0.9488 1.0720 1.0337 0.9552 1.0305 1.0157 0.8325
LPC (18:2) [M+H]+ 0.8998 1.0267 0.9706 0.9864 1.1337 1.0575 0.7107 1.0447 0.8058
LPC (18:3) [M+H]+ 0.5263 0.5411 0.5485 0.6267 1.4758 2.2508 0.5189 0.9291 0.9933
LPC (20:3) [M+H]+ 1.0803 1.0087 0.9002 1.0732 1.0081 0.9281 0.9207 1.0366 0.9616
LPC (20:4) [M+H]+ 1.0761 0.9889 0.8851 1.0897 1.0393 0.9242 1.1004 1.0482 0.8900
LPC (20:5) [M+H]+ 0.9602 0.8547 0.7492 1.2182 1.1799 0.9976 0.8441 1.0833 0.9074
LPC (22:5) [M+H]+ 1.1204 0.8033 0.8668 1.2492 0.9463 0.9225 1.2684 1.0006 1.0993
LPE (18:0) [M+H]+ 0.9283 0.9678 0.8576 0.9346 1.2377 0.9001 2.0334 1.3320 0.6189
LPE (18:2) [M+H]+ 0.6081 1.2057 1.0914 0.6425 1.2520 1.1575 0.4677 1.1849 0.9043
LPE (20:4) [M+H]+ 0.8993 1.0866 0.9929 0.8856 1.1071 0.9367 0.6245 1.1990 0.9742
LPE (22:3) [M+H]+ NA NA NA NA NA NA NA NA NA
LPE (22:6) [M+H]+ 0.9346 1.0038 0.8654 1.0542 1.1171 0.9598 0.6923 1.0615 1.0731
PC (28:0) [M+H]+ 0.7106 0.9929 1.2000 0.7126 1.0439 1.3005 0.5176 1.0165 1.1106
PC (30:0) [M+H]+ 0.9760 0.9797 1.0277 0.9661 0.9565 1.0311 0.4335 1.0809 1.1267
PC (31:0) [M+H]+ 0.9763 0.9992 0.9915 0.9586 0.9967 1.0331 0.4195 1.0805 1.0869
PC (31:1) [M+H]+ 0.6292 NA 1.6180 0.6292 1.0787 1.2584 NA 1.9775 0.4944
PC (32:0) [M+H]+ 0.9613 0.9805 1.0290 0.9697 0.9951 1.0395 0.6843 1.1110 0.9456
PC (32:1) [M+H]+ 0.9238 0.9695 0.9872 0.9829 1.0133 1.0197 0.4262 1.1796 1.0494
PC (32:2) [M+H]+ 0.9176 0.9996 1.0682 0.9360 1.0058 1.0672 0.3791 1.0115 1.1165
PC (33:0) [M+H]+ 0.9694 1.0001 1.0309 0.9784 1.0210 0.9740 0.3884 1.0962 1.0358
PC (33:1) [M+H]+ 0.9663 1.0150 1.0095 0.9754 1.0009 1.0082 0.3148 1.1177 1.0133
PC (33:2) [M+H]+ 0.9292 1.0300 1.0826 0.9426 1.0097 1.0343 0.3818 1.0718 0.9616
PC (34:0) [M+H]+ 0.9974 0.9833 1.0489 0.9906 0.9745 1.0177 0.6242 1.0934 0.9137
PC (34:1) [M+H]+ 0.9377 0.9932 1.0331 0.9680 1.0165 1.0168 0.5465 1.1205 0.9790
PC (34:2) [M+H]+ 0.9310 0.9916 1.0576 0.9426 1.0177 1.0454 0.7122 1.0774 0.9686
PC (34:3) A [M+H]+ 0.8776 0.9610 1.0762 0.9383 1.0594 1.0879 0.4957 1.0972 0.9372
PC (34:3) B [M+H]+ 0.9290 0.9658 0.9472 1.0203 1.0253 1.0747 0.5054 1.0842 1.0238
PC (34:3) C [M+H]+ 0.5395 0.6189 0.6056 0.6422 1.1562 2.1864 0.2999 1.1165 1.2706
PC (34:4) [M+H]+ 0.9598 1.0322 1.0470 0.9232 0.9847 1.0218 0.4451 1.0449 1.1203
PC (35:1) [M+H]+ 0.9710 1.0133 1.0577 0.9323 1.0167 1.0213 0.4791 1.0867 0.9552
PC (35:2) A [M+H]+ 0.9439 1.0441 1.0942 0.9200 1.0002 1.0505 0.2866 1.0938 0.9020
PC (35:2) B [M+H]+ 0.9186 1.0244 1.0870 0.9004 1.0267 1.0611 0.5251 1.0774 0.9449
PC (35:3) [M+H]+ 1.0036 1.0562 0.9900 0.9864 0.9756 0.9710 0.4075 1.0642 1.0698
PC (35:4) [M+H]+ 0.9279 1.0409 1.0854 0.9103 1.0307 1.0034 0.4156 1.0915 0.9936
PC (36:1) [M+H]+ 0.9320 1.0126 1.0570 0.9377 1.0156 1.0341 0.5421 1.1026 0.9622
PC (36:2) [M+H]+ 0.8823 1.0052 1.0782 0.9178 1.0335 1.0762 0.6727 1.0805 0.9529
PC (36:3) A [M+H]+ 0.9048 1.0270 1.1193 0.9146 1.0242 1.0749 0.5735 1.0436 0.8876
PC (36:3) B [M+H]+ 0.9560 1.0159 1.0480 0.9221 0.9921 1.0264 0.5509 1.0842 1.0544
PC (36:4) A [M+H]+ 0.8810 0.9594 1.0528 0.9683 1.0591 1.1422 0.6162 0.9874 0.9362
PC (36:4) B [M+H]+ 0.8082 0.8972 0.9183 0.8435 1.0874 1.2963 0.4536 1.0946 1.2202
PC (36:4) C [M+H]+ 0.9398 1.0042 1.0379 0.9417 1.0122 1.0120 0.6335 1.1179 1.0076
PC (36:5) A [M+H]+ 0.7440 0.8909 1.0815 0.9716 1.0689 1.3312 0.5262 0.9048 0.9871
PC (36:5) B [M+H]+ NA NA NA NA NA NA NA NA NA
PC (36:5) C [M+H]+ 0.8686 1.0205 1.0565 0.9375 0.9738 1.0641 0.4966 1.1958 0.9699
PC (36:5) D [M+H]+ 0.8593 0.9360 0.9427 1.0284 1.0915 1.0768 0.4072 1.2060 0.9012
PC (36:6) [M+H]+ 0.9887 1.0185 1.0345 0.9488 0.9947 1.0114 0.4129 1.0735 1.0231
PC (37:2) [M+H]+ 0.8919 1.0377 1.0863 0.9461 1.0083 1.0580 0.6989 1.0595 0.9116
PC (37:4) [M+H]+ 0.9663 1.0230 1.1022 0.9300 1.0074 1.0302 0.2309 1.0809 0.9208
PC (37:5) [M+H]+ 0.8458 0.9832 1.0047 0.9869 1.0236 1.0652 0.3232 1.2104 0.9859
PC (37:6) [M+H]+ 0.9661 1.0412 1.0072 0.9563 1.0393 0.9515 0.4830 1.1331 0.9911
PC (38:1) [M+H]+ 0.8155 1.0765 1.0405 0.8969 0.8804 0.9958 0.2672 1.2823 1.2823
PC (38:2) [M+H]+ 0.9322 1.0070 1.0252 0.9124 1.0086 1.0233 0.9301 1.0883 1.0757
PC (38:3) [M+H]+ 0.9435 0.9998 1.0645 0.9177 0.9795 1.0220 0.6158 1.0852 1.1113
PC (38:4) A [M+H]+ 0.9686 1.0737 1.1101 0.9129 0.9119 1.0523 0.5202 1.0093 1.0475
PC (38:4) B [M+H]+ 0.9778 0.9751 1.0415 0.9119 0.9848 1.0120 0.6792 1.0998 1.1265
PC (38:4) C [M+H]+ 0.9551 1.0045 1.0470 0.9453 0.9958 1.0244 0.6667 1.0935 0.9889
PC (38:5) A [M+H]+ 0.9638 0.9967 1.0532 0.9551 1.0092 1.0295 0.5358 1.0657 0.9804
PC (38:5) B [M+H]+ 0.9053 0.9543 0.9972 1.0013 1.0601 1.0440 0.5294 1.1154 0.9755
PC (38:6) A [M+H]+ 0.9786 1.0116 1.0213 0.9744 1.0176 1.0212 0.6483 1.0275 0.9772
PC (38:6) B [M+H]+ 0.9406 0.9859 1.0009 0.9698 1.0295 1.0285 0.5141 1.1726 0.9223
PC (38:6) C [M+H]+ 0.9319 0.9672 1.1144 0.7916 1.0157 1.0218 0.6786 1.1495 1.1890
PC (38:7) [M+H]+ 1.0684 1.0285 1.1180 0.9829 1.1078 1.2065 0.7347 0.6388 0.5111
PC (39:4) [M+H]+ 0.9831 1.0109 0.9692 1.0104 1.1425 0.9162 0.8811 0.9584 1.0078
PC (40:4) [M+H]+ 0.9410 0.9654 1.0255 0.9624 0.9664 1.0046 0.8139 1.1027 1.1658
PC (40:5) A [M+H]+ 0.9163 0.9572 0.9923 0.9690 1.0134 1.0632 0.6199 1.1060 1.0852
PC (40:5) B [M+H]+ 0.9669 0.9846 1.0159 0.9300 0.9922 1.0233 0.8382 1.0594 1.1286
PC (40:6) A [M+H]+ 1.0341 0.9650 0.9596 0.9794 1.0471 1.1000 0.8527 0.9854 0.8554
PC (40:6) B [M+H]+ 0.9166 0.9727 0.9946 0.9793 1.0318 1.0351 0.6394 1.1452 0.9849
PC (40:7) A [M+H]+ 1.0285 1.0232 1.0312 0.9374 0.9350 1.0125 0.6661 1.0800 1.0339
PC (40:7) B [M+H]+ 0.9401 1.0274 1.0199 0.9633 1.0378 1.0316 0.4044 1.0979 0.9254
PC (40:8) [M+H]+ 0.9720 0.9792 1.0133 0.9653 1.0404 1.0649 0.6288 1.0372 0.9342
PC (42:10) [M+H]+ 0.9537 0.9890 0.9772 0.9531 1.0436 1.0275 0.8830 1.1067 0.9655
PC (o-32:0) [M+H]+ 0.9528 0.9841 1.0311 0.9529 1.0119 1.0390 0.7381 1.1024 0.9543
PC (o-34:0) [M+H]+ 0.9757 0.9721 1.1021 0.8968 1.0085 1.1793 0.6504 1.0311 0.7372
PC (p-32:1) or PC (o-32:2) [M+H]+ 0.9298 1.0860 1.0860 0.8791 1.0563 1.0143 0.9670 1.0811 0.8033
PC (p-34:0) or PC (o-34:1) [M+H]+ 0.7724 1.0212 1.0954 0.7895 1.0592 1.1426 0.7419 1.1928 1.0037
PC (p-34:1) or PC (o-34:2) [M+H]+ 0.9095 0.9465 0.9540 1.0289 1.0569 1.0693 1.1030 1.1272 0.8275
PC (p-34:2) or PC (o-34:3) [M+H]+ 0.9027 0.9895 1.0235 0.9608 1.0863 1.0701 0.8161 1.0861 0.8184
PC (p-36:1) or PC (o-36:2) A [M+H]+ 0.9276 0.9819 0.9819 1.0200 1.0167 1.0969 1.0024 1.0644 0.8261
PC (p-36:1) or PC (o-36:2) B [M+H]+ 0.9192 1.0009 1.1695 1.0167 0.9796 1.0678 0.4596 1.0009 0.7864
PC (p-36:2) or PC (o-36:3) [M+H]+ 0.9391 0.9527 1.0336 0.9927 1.0485 1.0884 0.7014 1.0404 0.8631
PC (p-36:4) or PC (o-36:5) [M+H]+ 1.0110 1.0098 1.0283 0.9411 1.0147 0.9908 0.7417 1.1241 0.8846
PC (p-36:5) or PC (o-36:6) [M+H]+ 0.8986 0.9574 0.9118 1.0599 1.0772 1.0625 0.4699 1.2569 0.7459
PC (p-38:3) or PC (o-38:4) A [M+H]+ 0.9490 1.0349 1.1421 0.9528 0.8598 1.0653 0.5942 1.1861 0.8186
PC (p-38:3) or PC (o-38:4) B [M+H]+ 0.9924 1.0271 1.0606 0.9562 1.0042 1.0002 0.7155 1.0754 0.8704
PC (p-38:4) or PC (o-38:5) A [M+H]+ 0.9956 1.0136 1.0320 0.9702 1.0079 1.0074 0.6861 1.0732 0.9025
PC (p-38:4) or PC (o-38:5) B [M+H]+ 1.0018 1.0066 1.0763 0.9433 1.0023 1.0061 0.7629 1.0895 0.8499
PC (p-38:5) or PC (o-38:6) A [M+H]+ 0.9341 0.9630 0.9723 1.0079 1.0730 1.0511 0.6389 1.1396 0.8336
PC (p-38:5) or PC (o-38:6) B [M+H]+ 0.9717 0.9699 1.0281 0.9826 1.0361 1.0211 0.7357 1.0807 0.9049
PC (p-38:6) or PC (o-38:7) [M+H]+ 0.9720 0.9939 0.9957 0.9882 1.0620 0.9915 0.5932 1.1536 0.8360
PC (p-40:3) or PC (o-40:4) [M+H]+ 0.9746 1.0050 1.0550 0.9738 1.0160 1.0095 0.7332 1.0920 0.8476
PC (p-40:4) or PC (o-40:5) [M+H]+ 0.9256 1.1008 0.9815 1.0473 0.9784 0.9878 0.5211 1.1469 0.8299
PC (p-40:5) or PC (o-40:6) [M+H]+ 1.0022 0.9534 1.0616 1.0656 0.9284 1.0408 0.5112 1.0985 0.8393
PC (p-40:6) or PC (o-40:7) A [M+H]+ 0.9569 0.9435 0.9986 1.0119 1.0571 1.0376 0.7133 1.1090 0.8614
PC (p-40:6) or PC (o-40:7) B [M+H]+ 0.9541 0.9428 1.0617 0.9858 1.1042 0.9420 0.9060 1.1476 0.8097
PC (p-42:2) or PC (o-42:3) [M+H]+ 0.9359 0.8382 0.9766 1.0728 1.0728 1.1394 0.4883 0.9657 1.0254
PC (p-42:4) or PC (o-42:5) [M+H]+ 1.0069 1.0457 1.0798 0.9641 1.0158 0.9837 0.5468 1.0206 0.8748
PC (p-42:5) or PC (o-42:6) A [M+H]+ 0.9780 1.0070 1.0448 0.9260 1.0105 0.9762 0.8416 1.0757 1.0506
PC (p-42:5) or PC (o-42:6) B [M+H]+ 0.9230 1.1076 0.9501 1.0513 0.9082 0.9921 0.8144 1.0714 1.0750
PC (p-44:4) or PC (o-44:5) [M+H]+ 1.0089 1.0068 1.0111 0.9508 1.0065 1.0085 0.8241 1.0297 1.0121
PE (34:2) [M+H]+ 0.6781 1.0996 1.0996 0.7233 1.2290 1.0492 0.5018 1.2119 1.0236
PE (36:1) [M+H]+ 0.5933 1.1765 1.1689 0.6408 1.2010 1.0995 0.4818 1.2272 1.0143
PE (36:2) [M+H]+ 0.5905 1.1943 1.0261 0.5987 1.1518 1.1245 0.4804 1.4144 1.1356
PE (36:4) [M+H]+ 0.9000 1.0406 0.9514 0.8804 1.1161 0.9994 0.6726 1.2342 0.9391
PE (38:4) [M+H]+ 0.8346 1.0272 1.0280 0.8633 1.1077 1.0479 0.3966 1.2452 0.9317
PE (38:6) [M+H]+ 0.9451 0.9518 0.8691 1.0145 1.1709 1.0095 0.5921 1.1901 0.8356
PE (p-34:1) or PE (o-34:2) [M+H]+ 0.9025 1.0506 1.0458 0.8899 1.0723 1.0549 0.7640 1.0888 0.8787
PE (p-36:1) or PE (o-36:2) [M+H]+ 0.9742 1.1317 1.0243 1.0484 0.9377 0.9312 0.6447 1.1461 0.7736
PE (p-36:2) or PE (o-36:3) [M+H]+ 1.0171 0.9994 1.0332 0.9582 1.0327 0.9495 0.9319 1.0841 0.9191
PE (p-36:4) or PE (o-36:5) [M+H]+ 0.9694 0.9680 1.0412 0.9189 1.0082 1.0409 0.7796 1.2600 0.7674
PE (p-38:4) or PE (o-38:5) [M+H]+ 0.9921 0.9949 1.0743 0.8970 1.0034 1.0525 0.6533 1.1729 0.7912
PE (p-38:5) or PE (o-38:6) [M+H]+ 0.9342 0.9726 1.0180 0.9622 1.0544 1.0464 0.7884 1.1655 0.8061
PE (p-40:4) or PE (o-40:5) A [M+H]+ 0.9923 0.8588 1.0952 0.9355 1.0986 1.1410 0.1470 1.0976 0.6909
PE (p-40:4) or PE (o-40:5) B [M+H]+ 1.0132 0.9533 1.1631 0.8775 0.9265 1.1119 0.2998 1.1111 0.8993
PE (p-40:5) or PE (o-40:6) [M+H]+ 0.9329 0.9188 1.0658 0.9740 1.0254 1.1000 0.4806 1.1421 0.8368
SM (d30:1) [M+H]+ 0.9797 1.3016 0.8645 0.9063 1.0995 1.0374 NA 0.9496 0.8034
SM (d32:0) [M+H]+ 0.9508 0.8926 1.0737 0.9761 0.9408 1.0525 0.3881 1.2505 0.9185
SM (d32:1) [M+H]+ 0.9738 1.0210 1.0636 0.9621 0.9861 1.0221 0.4368 1.0810 0.9397
SM (d32:2) [M+H]+ 0.9439 0.9960 1.1014 0.9493 0.9657 1.0067 0.6620 1.1194 0.9389
SM (d33:1) [M+H]+ 0.9735 1.0396 1.0717 0.9567 0.9829 1.0045 0.5477 1.0964 0.8990
SM (d34:0) [M+H]+ 0.9473 0.9999 1.0388 1.0023 1.0132 0.9903 0.7469 1.1221 0.8826
SM (d34:1) [M+H]+ 0.9750 1.0226 1.0455 0.9559 0.9896 0.9998 0.7917 1.0936 0.9352
SM (d34:2) [M+H]+ 0.9662 1.0224 1.0334 0.9646 1.0012 1.0072 0.8569 1.0871 0.9134
SM (d36:0) [M+H]+ 0.9959 0.9713 0.9619 0.9893 0.9996 1.0099 0.7167 1.2172 0.8751
SM (d36:1) [M+H]+ 0.9736 1.0247 1.0337 0.9617 0.9826 0.9979 0.7456 1.1243 0.9275
SM (d36:2) [M+H]+ 0.9553 1.0213 1.0291 0.9418 0.9969 1.0188 0.6563 1.1397 0.9412
SM (d36:3) [M+H]+ 1.0045 0.9955 1.0955 0.9669 0.9504 0.9752 0.6364 1.1152 0.9455
SM (d38:1) [M+H]+ 0.9909 1.0279 1.0750 0.9522 0.9737 0.9821 0.5938 1.0850 0.9682
SM (d38:2) [M+H]+ 0.9578 1.0264 1.0467 0.9664 0.9962 1.0131 0.7344 1.0771 0.9290
SM (d39:1) [M+H]+ 0.9787 1.0387 1.0686 0.9723 0.9811 1.0046 0.4103 1.0794 0.9193
SM (d40:0) [M+H]+ 0.9938 0.9656 0.9891 0.9929 0.9972 0.9972 0.6562 1.1375 0.9938
SM (d40:1) [M+H]+ 0.9938 1.0174 1.0543 0.9610 0.9838 0.9996 0.7455 1.0882 0.9099
SM (d40:2) A [M+H]+ 0.9622 0.9866 1.0394 0.9700 1.0017 1.0471 0.4414 1.0985 0.9463
SM (d40:2) B [M+H]+ 0.9725 1.0363 1.0526 0.9509 0.9921 1.0008 0.7527 1.0756 0.9372
SM (d41:1) [M+H]+ 0.9813 1.0276 1.0541 0.9756 0.9840 0.9914 0.6341 1.1143 0.8834
SM (d41:2) A [M+H]+ 0.9536 1.0051 1.0484 0.9779 1.0189 1.0056 0.5086 1.1469 0.8583
SM (d41:2) B [M+H]+ 0.9792 1.0206 1.0361 0.9639 1.0161 0.9989 0.7574 1.0880 0.8913
SM (d42:1) [M+H]+ 0.9786 0.9928 1.0395 0.9677 0.9938 1.0028 0.8602 1.1020 0.9321
SM (d42:2) [M+H]+ 0.9688 0.9998 1.0298 0.9663 1.0059 1.0222 0.7936 1.1432 0.8420
SM (d42:3) [M+H]+ 0.9529 0.9896 1.0339 0.9595 1.0192 1.0333 0.8211 1.1106 0.8907
SM (d43:1) [M+H]+ 1.0675 0.9857 1.0266 1.0573 1.0015 0.9116 0.3070 1.0959 0.9004
SM (d43:2) [M+H]+ 0.9148 0.9436 1.0985 0.9266 1.0379 1.1034 0.4682 1.0757 0.9292
TG (40:0) [M+K]+ 0.1236 1.3051 0.8463 0.0695 1.1311 0.8357 0.0695 1.5316 1.2269
TG (40:0) [M+Na]+ 0.2190 1.1252 0.7878 0.1643 1.0690 0.8213 NA 1.3433 0.9910
TG (40:0) [M+NH4]+ 0.1105 1.5664 1.0778 0.0985 1.4671 1.0313 0.1912 1.8081 1.3270
TG (40:1) [M+K]+ 0.4761 1.2200 1.0377 NA 0.9429 0.9998 0.4761 1.0368 0.7459
TG (40:1) [M+Na]+ 0.1714 1.2663 1.0182 0.4570 1.0283 0.7998 NA 1.0854 0.8569
TG (40:1) [M+NH4]+ 0.4373 1.4348 0.9724 0.1640 1.0594 0.8062 0.2460 1.3592 1.2025
TG (42:0) [M+K]+ 0.4290 1.3268 0.8254 0.3443 1.0653 0.6536 0.3178 1.8330 1.0567
TG (42:0) [M+Na]+ 0.3170 1.2817 0.9611 0.2670 1.0618 0.8331 NA 1.3781 1.1025
TG (42:0) [M+NH4]+ 0.1731 1.3875 1.0073 0.1385 1.5236 1.1056 0.1558 1.7646 1.3973
TG (42:1) [M+K]+ 0.0975 1.3926 0.9814 0.0609 1.0051 0.7529 0.1097 1.3256 0.8882
TG (42:1) [M+Na]+ 0.3013 1.3437 1.0344 0.1406 1.0152 0.6944 NA 1.2774 0.9199
TG (42:1) [M+NH4]+ 0.0955 1.7230 1.1950 0.0883 1.1934 0.8303 0.0868 1.6454 1.0506
TG (42:2) [M+K]+ 0.1982 1.1460 0.8356 0.1982 1.1815 0.7987 0.0826 1.3299 1.0899
TG (42:2) [M+Na]+ 0.1491 1.0444 0.7769 0.0895 1.1223 0.8477 NA 1.4224 1.1898
TG (42:2) [M+NH4]+ 0.1023 1.2066 0.8706 0.0541 1.3325 0.8858 0.0787 1.4166 1.1303
TG (42:3) [M+K]+ 0.5983 0.7417 0.8010 0.6442 1.4718 1.2792 0.5086 1.1811 1.4834
TG (42:3) [M+Na]+ NA 0.3754 0.2518 NA 1.4787 1.0936 NA 0.8240 1.0621
TG (42:3) [M+NH4]+ 0.0958 0.5528 0.3155 0.1117 1.7008 1.1624 0.4310 1.0940 1.5357
TG (44:0) [M+K]+ 0.2840 1.3613 1.0263 0.2324 1.4331 1.0404 0.1411 1.7069 1.3437
TG (44:0) [M+Na]+ 0.2613 1.2871 0.9862 0.2892 1.3438 1.0746 0.2388 1.6143 1.2991
TG (44:0) [M+NH4]+ 0.2407 1.3583 1.0744 0.2094 1.4160 1.0834 0.1627 1.7328 1.3621
TG (44:1) [M+K]+ 0.2382 1.5118 1.2810 0.3187 1.0195 0.8911 0.1549 1.5408 1.1308
TG (44:1) [M+Na]+ 0.4034 1.4634 1.1906 0.2562 0.9817 0.8704 0.1717 1.3279 1.1371
TG (44:1) [M+NH4]+ 0.1856 1.5402 1.3202 0.1696 1.2594 1.0435 0.1422 1.6231 1.3053
TG (44:2) [M+K]+ 0.3924 1.1719 0.9254 0.2286 1.1839 0.8964 0.0645 1.3216 1.1771
TG (44:2) [M+Na]+ 0.3437 1.1514 0.9268 0.2245 1.1550 0.8972 0.1719 1.3323 1.2496
TG (44:2) [M+NH4]+ 0.1348 1.4026 1.1166 0.1104 1.4669 1.1281 0.1467 1.6301 1.3875
TG (46:0) [M+K]+ 0.5891 1.0695 1.0213 0.5109 1.2011 1.0747 0.5298 1.4084 1.5033
TG (46:0) [M+Na]+ 0.5361 1.0459 0.9346 0.6633 1.1470 1.0652 0.4622 1.2879 1.4604
TG (46:0) [M+NH4]+ 0.5554 1.1111 1.0080 0.5041 1.2024 1.0996 0.4685 1.4603 1.4935
TG (46:1) [M+K]+ 0.2927 1.5168 1.3285 0.2732 1.1709 0.9543 0.1833 1.5855 1.3329
TG (46:1) [M+Na]+ 0.2943 1.5096 1.3565 0.2949 1.1714 0.9680 0.2485 1.5279 1.2820
TG (46:1) [M+NH4]+ 0.2568 1.5249 1.3602 0.2367 1.1683 1.0047 0.1498 1.5890 1.3015
TG (46:2) [M+K]+ 0.2010 1.3751 1.2031 0.2232 1.3215 1.0628 0.1300 1.5761 1.3821
TG (46:2) [M+Na]+ 0.1923 1.4057 1.1920 0.1692 1.3636 1.0853 0.1125 1.5802 1.4057
TG (46:2) [M+NH4]+ 0.1651 1.3388 1.1585 0.1398 1.4849 1.1790 0.1134 1.5923 1.3960
TG (46:3) A [M+K]+ 0.5139 1.3028 1.1472 0.3354 0.9766 0.9190 0.0486 1.2120 1.1035
TG (46:3) A [M+Na]+ 0.5439 1.2836 1.0420 0.2354 1.0357 0.9552 NA 1.2137 1.0248
TG (46:3) A [M+NH4]+ 0.2564 1.4319 1.2562 0.2298 1.2662 1.0790 0.1518 1.4514 1.2331
TG (46:3) B [M+K]+ 0.3908 0.4674 0.3857 0.2052 1.6282 1.3324 NA 1.1335 1.3924
TG (46:3) B [M+Na]+ 0.4280 0.4344 0.3278 0.1926 1.6657 1.3239 NA 1.0173 1.4416
TG (46:3) B [M+NH4]+ 0.0874 0.4802 0.3346 0.0716 2.1899 1.7690 0.0620 1.3441 1.7755
TG (46:4) A [M+K]+ 0.4854 1.1113 0.8637 0.4247 1.1831 0.8814 NA 1.1569 1.0800
TG (46:4) A [M+Na]+ 1.0372 1.0849 0.8812 0.2184 1.0688 0.9633 NA 1.0044 1.0262
TG (46:4) A [M+NH4]+ 0.5214 1.0553 0.8211 0.4484 1.2324 0.8816 NA 1.1651 1.1429
TG (46:4) B [M+K]+ NA NA NA NA NA NA NA NA NA
TG (46:4) B [M+Na]+ NA NA NA NA NA NA NA NA NA
TG (46:4) B [M+NH4]+ 0.5463 0.7004 0.5003 0.3908 1.4297 1.2692 NA 0.9875 1.2606
TG (46:5) [M+K]+ 0.6948 0.7705 0.8496 0.7189 1.4853 1.3382 0.7189 1.0631 1.0064
TG (46:5) [M+Na]+ NA NA NA NA NA NA NA NA NA
TG (46:5) [M+NH4]+ 0.3180 0.3180 0.3004 0.2783 1.5720 1.1091 NA 0.9541 1.1846
TG (48:0) [M+K]+ 0.6981 0.9578 0.9957 0.6887 1.1167 1.1134 1.0101 1.3396 1.3637
TG (48:0) [M+Na]+ 0.6418 1.0705 1.0239 0.6547 1.0778 1.0555 0.9308 1.3652 1.4599
TG (48:0) [M+NH4]+ 0.6636 0.9796 1.0218 0.6404 1.0967 1.1275 0.8073 1.3888 1.4235
TG (48:1) [M+K]+ 0.6903 1.1727 1.0730 0.6706 1.0364 0.9766 0.4799 1.3150 1.4557
TG (48:1) [M+Na]+ 0.7285 1.1981 1.0348 0.6809 1.0327 0.9829 0.5661 1.2968 1.3865
TG (48:1) [M+NH4]+ 0.6736 1.1606 1.0976 0.6341 1.0275 0.9653 0.3866 1.3620 1.5370
TG (48:2) [M+K]+ 0.5693 1.3095 1.1959 0.5625 1.0800 0.9638 0.3319 1.3379 1.3437
TG (48:2) [M+Na]+ 0.5610 1.3453 1.2204 0.5314 1.0655 0.9625 0.3183 1.3373 1.3461
TG (48:2) [M+NH4]+ 0.5995 1.2689 1.0756 0.5423 1.1354 0.9049 0.3351 1.3678 1.6116
TG (48:3) [M+K]+ 0.2771 1.5559 1.3908 0.2447 1.1665 1.0233 0.1491 1.4722 1.2584
TG (48:3) [M+Na]+ 0.2728 1.5714 1.3841 0.2324 1.1806 1.0202 0.1383 1.4761 1.2487
TG (48:3) [M+NH4]+ 0.2080 1.5507 1.3769 0.1754 1.2523 1.0795 0.0916 1.4974 1.2484
TG (48:4) A [M+K]+ 0.1400 1.2944 1.0562 0.1242 1.4353 1.0638 0.1025 1.3160 1.2490
TG (48:4) A [M+Na]+ 0.1784 1.1793 1.0415 0.1446 1.3049 1.0456 0.0303 1.3458 1.2248
TG (48:4) A [M+NH4]+ 0.0858 1.2647 1.0859 0.0802 1.6076 1.2847 0.0523 1.5382 1.3861
TG (48:4) B [M+K]+ 0.2472 0.8833 0.6139 0.2033 1.5450 1.4597 0.0804 1.0883 1.3885
TG (48:4) B [M+Na]+ 0.3680 0.9515 0.6195 0.1514 1.3625 1.2641 NA 1.1164 1.2997
TG (48:4) B [M+NH4]+ 0.1039 0.6982 0.4783 0.0907 2.1564 1.7759 0.0649 1.0625 1.8301
TG (48:5) [M+K]+ 0.0663 0.2814 0.1883 0.0602 1.9379 1.5603 0.0663 1.3769 1.8268
TG (48:5) [M+Na]+ 0.1033 0.3724 0.2931 0.1033 1.7135 1.3098 0.0258 1.0930 1.5492
TG (48:5) [M+NH4]+ 0.0899 0.2567 0.1894 0.0508 1.9531 1.4706 NA 1.1200 1.6342
TG (48:6) [M+K]+ NA 0.2113 0.1972 NA 1.3682 1.0019 0.2113 0.7700 1.1268
TG (48:6) [M+Na]+ NA NA 0.4056 NA 1.2128 1.0383 NA 0.6922 0.9977
TG (48:6) [M+NH4]+ 0.1969 0.1013 0.1021 0.1181 1.5538 1.2567 NA 0.9399 1.2576
TG (49:0) [M+K]+ 0.9580 0.8298 0.7533 0.9075 1.1598 0.9123 0.5445 1.3172 1.4780
TG (49:0) [M+Na]+ 0.9472 1.1681 0.9424 1.0857 0.7971 0.7330 NA 1.1727 1.2094
TG (49:0) [M+NH4]+ 1.0264 1.1055 0.8343 1.0649 1.0307 0.9314 0.4708 0.9266 1.2242
TG (49:1) [M+K]+ 0.9192 1.0974 0.9386 0.9142 1.0345 0.7955 0.4058 1.2703 1.3656
TG (49:1) [M+Na]+ 0.8300 1.0268 0.9498 0.9802 1.0450 0.8350 0.3993 1.2626 1.4205
TG (49:1) [M+NH4]+ 0.9107 1.0607 0.9653 0.8830 0.9933 0.8813 0.3981 1.2189 1.4520
TG (49:2) [M+K]+ 1.0327 1.1108 1.0047 0.9261 0.8931 0.8347 0.4745 1.1424 1.3564
TG (49:2) [M+Na]+ 1.0108 1.1527 1.0446 0.9250 0.8820 0.8605 0.4057 1.1043 1.2778
TG (49:2) [M+NH4]+ 0.9366 1.1059 1.0133 0.8555 0.9610 0.8802 0.3903 1.1718 1.4197
TG (49:3) [M+K]+ 0.8087 1.1517 1.1294 1.0435 0.8889 1.0066 0.1391 0.8904 1.1826
TG (49:3) [M+Na]+ 0.9250 1.2800 0.7875 0.9462 1.0393 0.7846 NA 1.0100 1.2900
TG (49:3) [M+NH4]+ 0.8491 1.0737 1.0152 0.7598 1.0546 0.9664 0.2658 1.1428 1.5388
TG (50:0) [M+K]+ 0.8918 0.9031 0.9309 1.0758 0.9651 0.9973 1.3589 1.0739 1.2966
TG (50:0) [M+Na]+ 0.9804 0.9616 0.9242 0.9944 0.9078 1.0793 1.1642 1.0013 1.2757
TG (50:0) [M+NH4]+ 0.9359 0.9008 0.8886 1.0091 1.0257 1.0299 0.7408 1.0441 1.3929
TG (50:1) [M+K]+ 0.7998 1.0557 1.0407 0.7995 1.0316 0.9765 0.7817 1.2190 1.3461
TG (50:1) [M+Na]+ 0.7869 1.0763 1.0275 0.7833 1.0389 0.9713 0.7894 1.2318 1.3674
TG (50:1) [M+NH4]+ 0.7318 1.1216 1.0432 0.7459 1.0578 0.9472 0.6103 1.2811 1.4109
TG (50:2) [M+K]+ 0.8271 1.1089 1.0039 0.7995 1.0576 0.9171 0.5782 1.2107 1.3851
TG (50:2) [M+Na]+ 0.8364 1.0914 1.0039 0.7996 1.0656 0.9329 0.6201 1.2146 1.3349
TG (50:2) [M+NH4]+ 0.7984 1.0934 1.0311 0.7836 1.0737 0.9567 0.5010 1.2063 1.3539
TG (50:3) A [M+K]+ 0.8204 1.0798 1.0664 0.7749 1.0333 0.9707 0.4507 1.2092 1.3494
TG (50:3) A [M+Na]+ 0.8169 1.0870 1.0678 0.7580 1.0391 0.9694 0.5013 1.2322 1.3217
TG (50:3) A [M+NH4]+ 0.7325 1.1248 1.1027 0.6837 1.0436 1.0071 0.3278 1.2567 1.4138
TG (50:3) B [M+K]+ 0.5205 0.5908 0.5768 0.4976 1.6904 1.5276 0.3837 1.3283 1.6804
TG (50:3) B [M+Na]+ 0.4975 0.6238 0.4838 0.4426 1.7165 1.6197 0.4412 1.3998 1.5884
TG (50:3) B [M+NH4]+ 0.4713 0.5320 0.4665 0.3897 1.7428 1.6923 0.1980 1.4035 1.8010
TG (50:4) [M+K]+ 0.6661 1.0955 1.0974 0.6184 1.1178 1.1402 0.3419 1.1774 1.4197
TG (50:4) [M+Na]+ 0.6537 1.0702 1.0990 0.5981 1.1383 1.1611 0.3240 1.2033 1.4099
TG (50:4) [M+NH4]+ 0.5884 1.1327 1.1313 0.5271 1.1681 1.1788 0.1987 1.1786 1.4645
TG (50:5) [M+K]+ 0.3925 0.6782 0.6617 0.3566 1.7033 1.7006 0.1203 1.2632 1.5789
TG (50:5) [M+Na]+ 0.5244 0.4258 0.4006 0.3272 1.7352 1.7504 0.1258 1.1550 1.5060
TG (50:5) [M+NH4]+ 0.2746 0.4682 0.4114 0.2317 1.9620 1.9891 0.0915 1.3065 1.8113
TG (50:6) [M+K]+ 0.5433 0.6001 0.4482 0.3531 1.4384 1.3335 NA 0.8312 1.0757
TG (50:6) [M+Na]+ 0.4291 0.7112 0.6808 0.7922 1.1794 1.2726 0.2971 0.8319 1.1686
TG (50:6) [M+NH4]+ 0.2678 0.5699 0.4425 0.3488 1.5899 1.4998 0.1121 1.0364 1.3864
TG (51:1) [M+K]+ 0.8663 1.0776 0.8802 0.8635 1.0641 0.8340 0.5109 1.2944 1.5328
TG (51:1) [M+Na]+ 0.9147 1.0211 1.0610 0.9857 0.9434 0.9253 0.5987 1.1309 1.2107
TG (51:1) [M+NH4]+ 0.8547 1.0923 0.9173 0.8622 1.0484 0.8922 0.4685 1.2336 1.4609
TG (51:2) [M+K]+ 0.9615 1.0894 1.0041 0.9630 0.9710 0.8212 0.3489 1.1411 1.3472
TG (51:2) [M+Na]+ 0.9714 1.0636 0.9945 0.9481 0.9867 0.8566 0.3517 1.1885 1.2467
TG (51:2) [M+NH4]+ 0.9332 1.0895 0.9789 0.9235 1.0029 0.8697 0.2981 1.1823 1.3122
TG (51:3) [M+K]+ 1.0560 1.0706 1.0750 0.8933 1.0053 0.8973 0.5133 0.9582 1.2056
TG (51:3) [M+Na]+ 1.0450 1.1735 0.9902 0.9028 0.9093 0.8070 0.4330 1.1624 1.2904
TG (51:3) [M+NH4]+ 0.9015 1.0742 1.0286 0.8715 0.9927 0.9195 0.3224 1.1658 1.3539
TG (51:4) [M+K]+ 1.0106 1.0659 1.0561 0.8614 0.7984 1.1442 0.1564 0.9694 1.2770
TG (51:4) [M+Na]+ 0.8819 1.1079 1.0532 0.9024 0.9892 0.9545 0.1458 1.0836 1.2828
TG (51:4) [M+NH4]+ 0.8290 1.0282 1.0209 0.7719 1.0722 1.0938 0.2733 1.1029 1.3714
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]+ 0.7629 0.8724 0.8137 0.6836 1.1061 1.5186 0.2347 1.0276 1.3458
TG (52:0) [M+K]+ 0.8080 1.0361 1.0708 0.7819 1.1235 0.8649 1.0643 1.2482 1.2902
TG (52:0) [M+Na]+ 0.9996 0.9796 0.9677 0.8797 1.0861 0.9630 0.7168 1.0726 1.2106
TG (52:0) [M+NH4]+ 0.9191 0.8905 0.8926 1.0002 1.0390 1.0437 0.8048 0.9789 1.4840
TG (52:1) [M+K]+ 0.7690 1.1277 0.9663 0.8000 1.0810 0.9423 0.6717 1.2787 1.3105
TG (52:1) [M+Na]+ 0.7348 1.1443 0.9931 0.7537 1.0960 0.9271 0.6137 1.3204 1.3434
TG (52:1) [M+NH4]+ 0.6676 1.1621 0.9928 0.7008 1.1123 0.9402 0.5629 1.3874 1.4040
TG (52:2) [M+K]+ 0.9217 1.0865 1.0277 0.9171 1.0148 0.9030 0.6097 1.1288 1.1763
TG (52:2) [M+Na]+ 0.9182 1.0960 1.0526 0.9171 1.0104 0.8865 0.6226 1.1264 1.1615
TG (52:2) [M+NH4]+ 0.8663 1.1468 1.0624 0.8549 1.0080 0.8740 0.4805 1.2041 1.2258
TG (52:3) [M+K]+ 0.9307 1.0000 0.9572 0.9363 1.0280 1.0070 0.7245 1.1007 1.1914
TG (52:3) [M+Na]+ 0.9272 0.9864 0.9702 0.9088 1.0448 1.0156 0.7579 1.1024 1.1951
TG (52:3) [M+NH4]+ 0.8196 1.0624 1.0498 0.8433 1.0310 0.9907 0.5647 1.1810 1.2488
TG (52:4) [M+K]+ 0.8054 0.9843 1.0023 0.8388 1.0539 1.0810 0.7049 1.1354 1.3300
TG (52:4) [M+Na]+ 0.7920 1.0143 0.9726 0.8258 1.0738 1.1033 0.6779 1.1270 1.3095
TG (52:4) [M+NH4]+ 0.7389 1.0324 1.0126 0.7598 1.1059 1.1013 0.5167 1.1650 1.3536
TG (52:5) [M+K]+ 0.5126 0.6433 0.6534 0.5132 1.5310 1.6550 0.3200 1.2490 1.6053
TG (52:5) [M+Na]+ 0.5035 0.7011 0.6432 0.4574 1.5781 1.6458 0.2938 1.2450 1.5793
TG (52:5) [M+NH4]+ 0.2823 0.4525 0.4179 0.2739 1.8981 2.0049 0.1354 1.3066 1.8185
TG (52:6) [M+K]+ 0.3802 0.4466 0.4590 0.3622 1.8199 1.8363 0.1797 1.2922 1.7862
TG (52:6) [M+Na]+ 0.4102 0.4382 0.4522 0.3343 1.8345 1.7652 0.1905 1.2818 1.8361
TG (52:6) [M+NH4]+ 0.2866 0.3643 0.3972 0.2318 2.0808 1.9667 0.1449 1.2482 1.8880
TG (53:0) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (53:0) [M+Na]+ 0.9804 0.9437 1.0028 0.9755 1.0335 1.0306 1.1497 1.0411 0.9676
TG (53:0) [M+NH4]+ 0.8978 1.0998 0.9571 0.9080 1.0337 0.9239 0.8341 1.1444 1.2029
TG (53:1) [M+K]+ 0.8826 0.9879 0.7903 1.0726 1.0632 0.9990 0.6257 1.1203 1.2692
TG (53:1) [M+Na]+ 1.3315 0.8014 0.4932 0.8877 0.6473 1.2329 1.2329 1.5103 0.6164
TG (53:1) [M+NH4]+ 0.8423 1.1081 0.8813 0.8421 1.1182 0.8884 0.5795 1.2417 1.3909
TG (53:2) [M+K]+ 0.9546 1.0659 1.0046 0.9397 0.9983 0.8547 0.4193 1.1933 1.2320
TG (53:2) [M+Na]+ 0.9495 1.0862 0.9837 0.9122 1.0365 0.8419 0.5035 1.2205 1.1905
TG (53:2) [M+NH4]+ 0.9448 1.0888 0.9799 0.9333 0.9988 0.8770 0.4187 1.1982 1.2118
TG (53:3) [M+K]+ 0.8883 1.1014 1.0217 0.8890 1.0076 0.9361 0.4979 1.1485 1.2229
TG (53:3) [M+Na]+ 0.8746 1.1201 1.0410 0.8881 0.9885 0.9377 0.3547 1.1352 1.2634
TG (53:3) [M+NH4]+ 0.8662 1.1020 1.0229 0.8569 1.0259 0.9427 0.3580 1.1854 1.2522
TG (53:4) [M+K]+ 0.8137 1.0476 1.0782 0.8989 0.9838 0.9820 0.3865 1.1473 1.3101
TG (53:4) [M+Na]+ 0.8448 1.1497 1.0829 0.8578 0.9845 1.0399 0.6677 0.9987 1.1729
TG (53:4) [M+NH4]+ 0.8038 1.0983 1.0431 0.8130 1.0350 1.0151 0.3898 1.1591 1.2939
TG (54:0) [M+K]+ 0.8692 1.0053 0.9826 0.9688 1.0999 0.9357 0.9574 1.1968 0.9814
TG (54:0) [M+Na]+ NA NA NA NA NA NA NA NA NA
TG (54:0) [M+NH4]+ 0.9123 1.0324 0.9946 0.9010 1.0270 0.9785 1.0119 1.1383 1.1173
TG (54:1) [M+K]+ 0.5716 1.2843 0.9855 0.6124 1.1962 0.9448 0.6310 1.3560 1.3993
TG (54:1) [M+Na]+ 0.5684 1.2128 1.0234 0.5223 1.2542 0.9612 0.8198 1.3570 1.3739
TG (54:1) [M+NH4]+ 0.5468 1.2641 1.0090 0.5502 1.2404 0.9861 0.6117 1.4093 1.3150
TG (54:2) [M+K]+ 0.7072 1.2961 1.1223 0.7147 1.0740 0.8923 0.5472 1.2819 1.1182
TG (54:2) [M+Na]+ 0.7156 1.2798 1.1340 0.7264 1.0597 0.9220 0.5451 1.2753 1.0613
TG (54:2) [M+NH4]+ 0.6278 1.3250 1.1332 0.6477 1.1153 0.9034 0.4515 1.3462 1.1525
TG (54:3) [M+K]+ 0.7094 1.2632 1.1235 0.7421 1.0920 0.9333 0.6788 1.1949 1.0915
TG (54:3) [M+Na]+ 0.6971 1.2827 1.1348 0.7354 1.0993 0.9326 0.6294 1.1974 1.0613
TG (54:3) [M+NH4]+ 0.6677 1.3672 1.2112 0.6790 1.0514 0.8957 0.4737 1.2503 1.0603
TG (54:4) [M+K]+ 0.6751 1.3253 1.1722 0.7045 1.0410 0.9596 0.5639 1.2093 1.0767
TG (54:4) [M+Na]+ 0.6896 1.2842 1.1804 0.7312 1.0368 0.9552 0.6328 1.2229 1.0396
TG (54:4) [M+NH4]+ 0.5043 1.5287 1.3534 0.5319 1.0413 0.9155 0.3797 1.3697 0.9219
TG (54:5) A [M+K]+ 0.6540 1.1719 1.2636 0.5265 1.3838 0.9478 0.5014 1.1060 1.0738
TG (54:5) A [M+Na]+ 0.5327 1.3012 1.1830 0.5566 1.2103 1.0236 0.5045 1.2304 1.1805
TG (54:5) A [M+NH4]+ 0.4594 1.3069 1.1838 0.4920 1.2091 1.0518 0.4046 1.3691 1.2089
TG (54:5) B [M+K]+ 0.8337 1.0106 0.9890 0.7855 1.2461 0.9225 0.3946 1.0709 1.4689
TG (54:5) B [M+Na]+ NA NA NA NA NA NA NA NA NA
TG (54:5) B [M+NH4]+ 0.7989 1.0562 1.0661 0.7724 0.9765 0.9699 0.5822 1.2185 1.5319
TG (54:6) A [M+K]+ 0.4872 1.1917 1.0742 0.5348 1.2876 1.1085 0.4733 1.3475 1.2301
TG (54:6) A [M+Na]+ 0.5338 1.2142 1.1185 0.5358 1.2722 1.1045 0.4823 1.4172 0.9373
TG (54:6) A [M+NH4]+ 0.3963 1.1717 1.0202 0.4377 1.4037 1.1900 0.2765 1.3879 1.3173
TG (54:6) B [M+K]+ 0.3606 0.6266 0.4587 0.3571 1.8539 1.5618 0.1807 1.4953 1.8285
TG (54:6) B [M+Na]+ 0.3616 0.8623 0.7123 0.3753 1.6686 1.4462 0.2790 1.3830 1.6191
TG (54:6) B [M+NH4]+ 0.1655 0.4892 0.3797 0.2128 2.1101 1.7837 0.1187 1.4824 1.9496
TG (54:6) C [M+K]+ 0.8238 0.9241 0.9121 0.8416 0.9832 1.2547 0.4657 1.0598 1.5223
TG (54:6) C [M+Na]+ 1.2847 0.7485 1.0478 1.1163 0.9633 0.8762 0.9663 0.9463 1.5495
TG (54:6) C [M+NH4]+ 0.6942 0.9219 0.9667 0.6916 1.1596 1.2682 0.4948 1.1380 1.4657
TG (54:7) A [M+K]+ 0.2811 0.5423 0.4941 0.2955 1.9963 1.6334 0.2408 1.3954 1.8884
TG (54:7) A [M+Na]+ 0.2396 0.5083 0.4300 0.2582 2.0885 1.6849 0.1593 1.4210 1.9112
TG (54:7) A [M+NH4]+ 0.1969 0.4029 0.3688 0.2097 2.3189 1.7506 0.1388 1.3460 1.9017
TG (54:7) B [M+K]+ 0.3152 0.3556 0.3979 0.3206 1.9609 1.9153 0.2758 1.3329 1.8753
TG (54:7) B [M+Na]+ 0.3268 0.3908 0.3596 0.3762 1.9465 1.9972 0.1478 1.1976 1.8160
TG (54:7) B [M+NH4]+ 0.2630 0.2885 0.3333 0.2605 2.1142 2.0802 0.1811 1.2585 1.8058
TG (54:8) [M+K]+ 0.0647 0.1086 0.0734 0.0924 1.6657 1.6614 0.0629 0.9703 1.5120
TG (54:8) [M+Na]+ 0.0945 0.0886 0.0810 0.0638 1.4160 1.3613 NA 0.8589 1.2493
TG (54:8) [M+NH4]+ 0.0464 0.0634 0.0549 0.0485 2.5099 2.2660 0.0303 1.3642 2.0220
TG (54:9) [M+K]+ 0.0729 0.0937 0.1041 0.1916 1.2759 1.5258 0.1249 0.8107 1.1911
TG (54:9) [M+Na]+ NA NA NA 0.2320 1.0429 1.2043 NA 0.6651 1.0394
TG (54:9) [M+NH4]+ NA 0.0533 NA 0.0266 1.1424 1.0723 NA 0.6586 1.2461
TG (55:1) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (55:1) [M+Na]+ NA NA NA NA NA NA NA NA NA
TG (55:1) [M+NH4]+ 0.8631 0.9897 1.0875 0.8239 1.1691 1.0227 0.5466 0.9820 1.2026
TG (55:2) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (55:2) [M+Na]+ NA NA NA NA NA NA NA NA NA
TG (55:2) [M+NH4]+ 0.7906 1.1848 1.0074 0.7426 1.1886 0.8860 0.5913 1.1827 1.2440
TG (55:3) [M+K]+ 0.7590 1.1305 0.5980 0.7984 1.2592 0.9056 NA 1.1385 1.1644
TG (55:3) [M+Na]+ NA NA NA NA NA NA NA NA NA
TG (55:3) [M+NH4]+ 0.8116 1.1602 1.0026 0.7974 1.1206 0.9279 0.3626 1.2271 1.1769
TG (56:0) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (56:0) [M+Na]+ NA NA NA NA NA NA NA NA NA
TG (56:0) [M+NH4]+ 0.8720 1.0690 1.0303 0.8652 1.0217 1.0090 1.0012 1.1469 1.0658
TG (56:10) [M+K]+ 0.8923 0.8454 0.9069 0.9335 1.1090 1.1941 1.1994 1.1000 1.0005
TG (56:10) [M+Na]+ NA 0.3958 NA 0.1979 0.9896 1.1133 0.1979 0.8906 1.1875
TG (56:10) [M+NH4]+ 0.2550 0.4315 0.2615 0.3609 1.1518 1.5084 NA 0.7427 0.8865
TG (56:1) [M+K]+ 0.2624 1.2099 0.8996 0.6997 0.9183 1.0331 0.3936 1.2682 0.8790
TG (56:1) [M+Na]+ NA NA NA NA NA NA NA NA NA
TG (56:1) [M+NH4]+ 0.3911 1.3244 1.1161 0.3738 1.2724 1.0776 0.5356 1.4587 1.3492
TG (56:2) [M+K]+ 0.3151 0.9719 0.7722 0.2364 1.5597 1.1781 0.1630 1.4508 1.5526
TG (56:2) [M+Na]+ 0.3462 1.0303 0.7417 0.2404 1.5217 1.0550 0.3188 1.2243 1.4092
TG (56:2) [M+NH4]+ 0.2695 1.0630 0.8694 0.2758 1.6693 1.2943 0.3011 1.4532 1.5296
TG (56:3) [M+K]+ 0.3463 0.8933 0.8335 0.2972 1.6390 1.4021 0.2428 1.4393 1.6022
TG (56:3) [M+Na]+ 0.3776 0.8439 0.6233 0.3250 1.8674 1.4145 0.1137 1.3618 1.5423
TG (56:3) [M+NH4]+ 0.3418 0.8083 0.6966 0.3363 1.7956 1.4117 0.2396 1.4513 1.5858
TG (56:4) [M+K]+ 0.5377 0.9236 0.8414 0.5318 1.5095 1.2696 0.2987 1.2613 1.4588
TG (56:4) [M+Na]+ 0.5149 0.9138 0.8006 0.5684 1.6152 1.2577 0.2829 1.2599 1.3240
TG (56:4) [M+NH4]+ 0.4180 0.7033 0.6861 0.4177 1.8133 1.4218 0.2767 1.3433 1.5789
TG (56:5) A [M+K]+ 0.7241 0.8331 0.8701 0.6508 1.2772 1.3894 0.2468 1.1629 1.3535
TG (56:5) A [M+Na]+ 0.5819 0.7259 0.6578 0.5090 1.6051 1.4189 0.3723 1.1877 1.5316
TG (56:5) A [M+NH4]+ 0.4568 0.6777 0.7754 0.4291 1.7077 1.5472 0.1680 1.1078 1.6801
TG (56:5) B [M+K]+ 0.7344 0.7389 0.9161 0.6344 1.2819 1.2155 0.2769 1.2879 1.6439
TG (56:5) B [M+Na]+ 0.6932 0.9053 0.8803 0.7501 1.2588 1.2391 0.4009 1.1670 1.3663
TG (56:5) B [M+NH4]+ 0.6395 0.7348 0.7401 0.6550 1.4667 1.2364 0.2175 1.3250 1.6524
TG (56:5) C [M+K]+ 0.8905 1.0728 1.0902 0.8750 0.9911 0.9539 0.3721 1.1907 1.1286
TG (56:5) C [M+Na]+ 0.8730 1.0890 1.1115 0.8441 0.9886 1.0500 0.3000 1.1360 1.0470
TG (56:5) C [M+NH4]+ 0.8256 1.0572 1.0766 0.8373 1.0686 0.9780 0.3652 1.2520 1.0855
TG (56:6) [M+K]+ 0.8269 1.0107 1.0140 0.8684 1.0911 1.0061 0.5380 1.0750 1.3525
TG (56:6) [M+Na]+ 0.8236 0.9903 0.9999 0.8905 1.0869 1.0205 0.4623 1.0867 1.3547
TG (56:6) [M+NH4]+ 0.8171 1.0405 1.0231 0.8359 1.0545 1.0099 0.3490 1.1669 1.3379
TG (56:7) A [M+K]+ 0.7666 0.9814 0.9796 0.8750 1.0979 1.1254 0.4827 1.0676 1.3307
TG (56:7) A [M+Na]+ 0.7879 0.9721 1.0095 0.9007 1.0829 1.1089 0.5103 1.0406 1.2945
TG (56:7) A [M+NH4]+ 0.7065 1.0036 1.0414 0.7534 1.1065 1.1771 0.3815 1.1531 1.3099
TG (56:7) B [M+K]+ 0.9093 0.9301 0.9735 0.9975 1.0544 0.9201 0.2731 1.2852 1.1534
TG (56:7) B [M+Na]+ 1.2057 0.9575 1.1058 1.0638 0.9378 0.8675 0.1934 0.9800 0.9413
TG (56:7) B [M+NH4]+ 0.8590 1.0239 0.9832 0.8941 1.0386 0.9834 0.3488 1.2659 1.1834
TG (56:8) A [M+K]+ 0.7363 0.9563 0.9711 0.7772 1.1299 1.2512 0.4448 1.1070 1.2750
TG (56:8) A [M+Na]+ 0.7717 1.1287 0.9584 0.8173 0.9471 1.2386 0.5677 1.0463 1.2289
TG (56:8) A [M+NH4]+ 0.6295 1.0317 0.9891 0.6756 1.2032 1.3464 0.3422 1.0795 1.2164
TG (56:8) B [M+K]+ 0.8372 1.0693 1.0451 0.9636 0.9282 1.0092 0.4826 1.1336 1.2178
TG (56:8) B [M+Na]+ 0.9581 0.9983 0.9782 1.0740 0.9759 0.9486 0.4264 1.1471 1.0284
TG (56:8) B [M+NH4]+ 0.6943 0.9960 0.9963 0.7599 1.1479 1.1362 0.2964 1.2531 1.2910
TG (56:9) [M+K]+ 0.7183 0.6221 0.7258 0.7237 1.3936 1.6764 0.2962 1.0467 1.1923
TG (56:9) [M+Na]+ 0.3693 1.0104 0.4284 0.4432 1.2409 1.4665 NA 0.7471 0.8765
TG (56:9) [M+NH4]+ 0.4069 0.5850 0.6177 0.4426 1.6020 2.0644 0.2543 1.0997 1.3407
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]+ 0.7321 1.2034 1.1080 0.7228 1.0662 1.0155 0.5036 1.2327 1.0936
TG (57:2) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (57:2) [M+Na]+ NA NA NA NA NA NA NA NA NA
TG (57:2) [M+NH4]+ 0.6227 1.2404 1.0131 0.6065 1.1726 1.0647 0.7660 1.2684 1.2355
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]+ 0.9136 1.0105 0.9257 0.9131 1.0524 0.9828 0.9278 1.1510 1.2021
TG (58:10) [M+K]+ 0.8578 0.9883 0.9782 0.9460 1.1275 1.0763 0.8528 1.0368 1.0033
TG (58:10) [M+Na]+ NA NA NA NA NA NA NA NA NA
TG (58:10) [M+NH4]+ 0.5991 0.8855 0.8760 0.7660 1.2542 1.2151 0.4774 1.4226 1.2316
TG (58:1) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (58:1) [M+Na]+ NA NA NA NA NA NA NA NA NA
TG (58:1) [M+NH4]+ 0.4995 1.3679 1.1661 0.4654 1.1294 0.9934 0.6099 1.3486 1.3941
TG (58:2) [M+K]+ 0.2399 0.9232 0.8822 0.3338 1.3631 1.0849 0.3338 1.1572 1.3186
TG (58:2) [M+Na]+ 0.4116 0.7916 0.8106 0.7599 1.1097 1.1117 NA 0.9879 1.3931
TG (58:2) [M+NH4]+ 0.3097 1.0211 0.8378 0.2934 1.6448 1.3020 0.3735 1.4336 1.6092
TG (58:3) [M+K]+ 0.1512 0.5122 0.4959 0.3326 1.5585 1.2123 0.1814 1.1570 1.4453
TG (58:3) [M+Na]+ 0.1840 0.5846 0.5889 0.2699 1.4655 1.2219 0.2208 1.1140 1.2808
TG (58:3) [M+NH4]+ 0.1727 0.7116 0.5730 0.1564 2.0784 1.5757 0.2272 1.4372 1.8009
TG (58:4) [M+K]+ 0.2551 0.1984 0.2041 NA 1.3228 1.0346 NA 0.8655 1.1621
TG (58:4) [M+Na]+ 0.1854 0.4326 0.5561 0.1390 1.0858 1.2844 NA 0.7786 1.6870
TG (58:4) [M+NH4]+ 0.1516 0.2669 0.2486 0.1554 2.4108 1.8327 0.1424 1.5419 1.9471
TG (58:5) [M+K]+ 0.1647 0.2470 0.1647 0.3293 1.2596 1.0620 NA 0.9824 1.1279
TG (58:5) [M+Na]+ NA NA NA NA 0.8889 1.3333 NA NA NA
TG (58:5) [M+NH4]+ 0.2546 0.3295 0.3486 0.2496 2.2072 1.7367 0.1747 1.5199 1.8938
TG (58:6) [M+K]+ 0.4915 0.6080 0.7001 0.4915 1.7193 1.3437 0.2687 1.2765 1.6057
TG (58:6) [M+Na]+ 0.5672 0.7227 0.7164 0.7375 1.6119 1.2157 NA 1.0428 1.4925
TG (58:6) [M+NH4]+ 0.4948 0.5991 0.5851 0.5267 1.7368 1.4438 0.2448 1.3925 1.6482
TG (58:8) [M+K]+ 0.7994 1.0284 1.0723 0.9052 0.9660 1.0445 0.2924 1.4882 0.7896
TG (58:8) [M+Na]+ 0.9425 0.7005 1.7046 0.9097 0.9097 0.6877 0.7642 0.9552 0.9340
TG (58:8) [M+NH4]+ 0.8051 1.1086 1.0820 0.8584 1.0488 0.9501 0.3175 1.3156 0.9855
TG (58:9) [M+K]+ 0.7801 1.2704 1.1840 0.9362 0.8157 0.9138 0.3392 1.2293 1.0545
TG (58:9) [M+Na]+ 0.6447 1.1982 1.0503 0.8877 0.9437 1.2054 0.8538 1.1059 0.8364
TG (58:9) [M+NH4]+ 0.7742 0.8661 1.0826 0.7839 1.1753 1.2222 0.4406 1.1531 1.0373
TG (59:2) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (59:2) [M+Na]+ NA NA NA NA NA NA NA NA NA
TG (59:2) [M+NH4]+ 0.5868 1.3748 1.1947 0.5973 1.0649 0.9692 0.6313 1.3685 1.0194
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]+ 0.4486 1.2749 1.2180 0.5149 1.1009 1.1138 0.2486 1.3731 1.1506
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]+ 0.5911 1.3776 1.0787 0.5782 1.1012 0.9357 0.5843 1.2825 1.4113
TG (60:2) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (60:2) [M+Na]+ NA NA NA NA NA NA NA NA NA
TG (60:2) [M+NH4]+ 0.3839 1.1844 0.9787 0.3431 1.4377 1.1472 0.4709 1.3832 1.5952
TG (60:3) [M+K]+ 0.7378 0.5994 0.6148 0.1844 1.3710 1.1750 NA 0.8280 1.0452
TG (60:3) [M+Na]+ 0.5217 0.6957 NA NA 1.1630 1.1925 0.5217 0.6708 0.9441
TG (60:3) [M+NH4]+ 0.2029 0.7646 0.6283 0.1965 1.9936 1.5377 0.2567 1.4077 1.7443
TG (60:4) [M+K]+ NA 0.2097 NA NA 1.2455 1.0996 NA 0.6598 0.9981
TG (60:4) [M+Na]+ 0.2167 NA NA 0.3250 1.0563 1.2157 NA 0.8048 0.9858
TG (60:4) [M+NH4]+ 0.0926 0.2873 0.2696 0.1088 2.4001 1.8904 0.0945 1.5127 2.0347
TG (60:5) [M+K]+ NA NA NA NA 1.2048 1.2115 NA 0.4905 0.9639
TG (60:5) [M+Na]+ NA NA NA NA NA NA NA NA NA
TG (60:5) [M+NH4]+ 0.1330 0.2383 0.2163 0.1789 2.1969 1.6568 0.1285 1.3338 1.8947
TG (60:6) [M+K]+ NA NA NA NA 1.0692 0.9947 NA 0.5867 1.0483
TG (60:6) [M+Na]+ NA NA NA NA NA NA NA NA NA
TG (60:6) [M+NH4]+ 0.1596 0.1887 0.1487 0.1967 1.9911 1.7099 0.0377 1.4061 1.7884
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]+ 0.7920 1.1153 0.9893 0.7630 1.0674 1.0081 0.5148 1.0553 1.2483
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]+ 0.5073 0.9540 0.8253 0.5282 1.4855 1.1314 0.5612 1.3336 1.5515
TG (62:3) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (62:3) [M+Na]+ NA NA NA NA NA NA NA NA NA
TG (62:3) [M+NH4]+ 0.2919 0.5180 0.4472 0.2586 1.9165 1.4256 NA 1.2984 1.6849
TG (62:4) [M+K]+ 1.0913 1.2097 0.9486 0.7854 0.9771 1.0335 0.6614 1.1244 0.8102
TG (62:4) [M+Na]+ NA NA NA NA NA NA NA NA NA
TG (62:4) [M+NH4]+ 0.1575 0.3260 0.3260 0.1956 1.8046 1.4534 0.2934 1.1213 1.5450
TG (64:2) [M+K]+ 0.8554 0.8898 1.0668 1.0300 1.0770 0.9474 0.8357 0.9701 1.3371
TG (64:2) [M+Na]+ 0.7305 1.0912 1.2799 1.0322 0.9759 0.7319 1.8579 0.9142 1.6515
TG (64:2) [M+NH4]+ 0.9885 0.9605 0.9756 1.0053 1.0168 0.9941 1.0337 1.0467 1.0386
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]+ 0.5448 0.4903 0.2043 0.2860 1.4748 0.9689 NA 0.8113 1.2257
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]+ 0.1347 NA 0.4491 NA 1.1765 1.0068 NA 0.7245 1.2753
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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