Data for Validating Quantitative Untargeted Lipidomics Across Nine Liquid Chromatography−High-Resolution Mass Spectrometry Platforms (part IV) (Study ST000986)

(Analysis AN001612)

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

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MetaboliteF1F2F3F4F5F6F7F8F9
1_CE (22:1) [2M+Na]+ ISTD 1.0124 1.0132 1.0136 1.0105 1.0123 0.9971 1.0046 0.9418 0.9641
1_CE (22:1) [2M+NH4]+ ISTD 1.0341 1.0280 1.0132 1.0303 1.0339 0.9886 0.9355 0.8459 0.9772
1_CE (22:1) [Chol-head -H2O+H]+ ISTD 1.0292 1.0314 1.0137 1.0343 1.0281 0.9920 0.9494 0.8606 0.9509
1_CE (22:1) [M+Chol-head -H2O+H]+ ISTD 1.0325 1.0212 1.0233 1.0319 1.0422 0.9846 0.9193 0.8420 0.9701
1_CE (22:1) [M+Na]+ ISTD 1.0176 0.9933 1.0184 1.0054 0.9963 1.0081 0.9585 0.9745 0.9665
1_CE (22:1) [M+NH4]+ ISTD 1.0278 1.0261 1.0143 1.0321 1.0318 0.9892 0.9427 0.8562 0.9740
1_Cer (d18:1/17:0) [M+H-H2O]+ ISTD 1.0177 1.0524 1.0229 1.0112 1.0374 0.9846 0.8861 0.8051 1.0563
1_Cer (d18:1/17:0) [M+H]+ ISTD 1.0129 1.0529 1.0288 1.0169 1.0395 0.9783 0.9024 0.8004 1.0533
1_Cer (d18:1/17:0) [M+Na]+ ISTD 1.0101 1.0411 1.0276 1.0150 1.0374 0.9825 0.9376 0.8240 1.0420
1_Cholesterol d7 [M-H2O+H]+ ISTD 1.0160 1.0556 1.0287 1.0106 1.0196 0.9818 0.9323 0.8425 1.0227
1_CUDA [M+H]+ ISTD 1.0234 1.0419 1.0371 1.0140 0.9964 0.9890 0.9598 0.8329 1.0552
1_DG (12:0/12:0/0:0) [M+K]+ ISTD 1.0354 1.0152 1.0100 1.0025 0.9974 1.0008 0.9565 0.8870 1.0555
1_DG (12:0/12:0/0:0) [M+Na]+ ISTD 1.0207 1.0459 1.0299 1.0056 1.0281 0.9841 0.9041 0.8089 1.0733
1_DG (12:0/12:0/0:0) [M+NH4]+ ISTD 1.0167 1.0477 1.0269 1.0029 1.0137 0.9680 0.9444 0.8687 1.0592
1_DG (18:1/2:0/0:0) [M+K]+ ISTD 1.0198 1.0221 1.0105 1.0128 1.0082 1.0032 0.9838 0.8359 1.0915
1_DG (18:1/2:0/0:0) [M+Na]+ ISTD 1.0167 1.0363 1.0307 1.0106 1.0176 0.9857 0.9346 0.8274 1.0739
1_DG (18:1/2:0/0:0) [M+NH4]+ ISTD 1.0139 1.0173 1.0169 1.0030 1.0234 0.9911 0.9316 0.8652 1.0812
1_LPC (17:0) [M+H]+ ISTD 1.0199 1.0434 1.0255 1.0125 1.0336 0.9735 0.9192 0.8152 1.0723
1_LPE (17:1) [M+H]+ ISTD 1.0121 1.0433 1.0298 1.0058 1.0415 0.9775 0.9006 0.8138 1.0739
1_MG (17:0/0:0/0:0) [M+H]+ ISTD 1.0246 1.0187 1.0097 1.0111 1.0283 1.0021 0.9332 0.8424 1.0521
1_MG (17:0/0:0/0:0) [M+Na]+ ISTD 0.9910 1.0017 1.0017 1.0026 1.0181 1.0123 0.9807 0.9136 1.0718
1_PC (12:0/13:0) [M+H]+ ISTD 1.0245 1.0392 1.0307 1.0149 1.0306 0.9748 0.9116 0.8133 1.0641
1_PE (17:0/17:0) [M+H]+ ISTD 1.0133 1.0534 1.0161 1.0236 1.0441 0.9784 0.8986 0.7931 1.0639
1_SM (d18:1/17:0) [M+H]+ ISTD 1.0181 1.0516 1.0365 1.0108 1.0371 0.9764 0.8410 0.8114 1.0489
1_Sphingosine (d17:1) [M+H]+ ISTD 1.0037 1.0574 1.0203 1.0037 1.0268 0.9809 0.8902 0.8381 1.0771
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]+ 1.0293 1.0412 1.0403 1.0369 1.0320 0.9789 0.8921 0.7724 1.0361
1_TG d5 (17:0/17:1/17:0) ISTD [M+NH4]+ 0.9966 1.0512 1.0294 1.0082 1.0694 0.9849 0.8271 0.7520 1.1148
Acylcarnitine (C10:0) [M+H]+ 1.4259 0.8119 1.0159 1.4078 0.8211 1.0087 0.4565 0.3636 1.0333
Acylcarnitine (C10:1) [M+H]+ 1.1566 0.8286 1.0180 1.1695 0.8347 1.2105 0.6373 0.6945 1.0522
Acylcarnitine (C12:0) [M+H]+ 1.3556 0.7474 0.9836 1.4176 0.7541 1.2054 0.6281 0.5017 0.5836
Acylcarnitine (C12:1) [M+H]+ 1.0378 1.0537 0.9092 0.9605 1.0694 1.0443 0.8455 0.8285 1.1070
Acylcarnitine (C14:1) [M+H]+ 1.3549 0.7871 1.0013 1.3799 0.8212 0.9757 0.9025 0.5956 0.9505
Acylcarnitine (C14:2) [M+H]+ NA NA NA NA NA NA NA NA NA
Acylcarnitine (C18:0) [M+H]+ 0.9997 1.0389 0.9729 1.0123 1.0779 0.9972 0.8665 0.9560 0.8774
Acylcarnitine (C18:1) [M+H]+ 1.1823 0.9994 1.0669 1.1700 0.8991 0.8996 1.0917 0.7534 0.9232
Acylcarnitine (C18:2) [M+H]+ 1.0321 0.9060 1.0969 1.0106 0.9940 1.1562 1.0159 0.7400 0.9633
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]+ 1.0908 0.9489 0.9883 1.1017 0.9371 0.9973 1.0362 0.9325 0.9538
CE (16:0) [2M+NH4]+ 1.0435 1.0808 1.0028 1.0860 0.9711 0.9873 0.9333 0.8771 0.8377
CE (16:0) [Chol-head -H2O+H]+ 1.0898 1.0429 1.0491 1.0492 1.0037 0.9836 0.7726 0.8623 0.8084
CE (16:0) [M+Chol-head -H2O+H]+ 1.0689 1.0178 1.0661 1.0994 1.0101 0.9342 0.8326 0.8619 0.8389
CE (16:0) [M+Na]+ NA NA NA NA NA NA NA NA NA
CE (16:0) [M+NH4]+ 1.0930 1.0283 1.0365 1.0729 0.9955 0.9796 0.8964 0.8576 0.8132
CE (16:1) [2M+Na]+ 1.0605 0.9797 0.9955 1.1158 1.0316 0.9759 1.1824 0.9467 0.7007
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]+ NA NA NA NA NA NA NA NA NA
CE (16:1) [M+NH4]+ 1.0599 0.9764 1.0472 1.0400 1.0380 0.9563 1.0935 0.9403 0.8287
CE (18:0) [2M+Na]+ NA NA NA NA NA NA NA NA NA
CE (18:0) [2M+NH4]+ NA NA NA NA NA NA NA NA NA
CE (18:0) [Chol-head -H2O+H]+ 1.0895 0.9967 0.9702 1.1937 1.1646 0.9739 NA NA 0.6999
CE (18:0) [M+Chol-head -H2O+H]+ NA NA NA NA NA NA NA NA NA
CE (18:0) [M+Na]+ NA NA NA NA NA NA NA NA NA
CE (18:0) [M+NH4]+ NA NA NA NA NA NA NA NA NA
CE (18:1) [2M+Na]+ 1.1145 0.9627 1.0180 1.0908 0.9413 1.0122 0.9514 0.9143 0.8503
CE (18:1) [2M+NH4]+ 1.1466 1.0584 1.0699 1.0654 1.0157 0.9734 0.7241 0.7880 0.7033
CE (18:1) [Chol-head -H2O+H]+ NA NA NA NA NA NA NA NA NA
CE (18:1) [M+Chol-head -H2O+H]+ 1.1275 1.0523 1.0641 1.0640 1.0047 0.9860 0.7344 0.8086 0.7321
CE (18:1) [M+Na]+ 1.0984 0.9699 0.9984 1.0507 0.9492 1.0153 0.9855 0.9851 0.8588
CE (18:1) [M+NH4]+ 1.1261 1.0465 1.0696 1.0748 0.9995 0.9826 0.7419 0.8056 0.7340
CE (18:2) [2M+Na]+ 1.1129 0.9548 0.9988 1.0963 0.9801 1.0156 1.0741 0.9124 0.7814
CE (18:2) [2M+NH4]+ 1.1214 1.0309 1.0645 1.0970 1.0257 0.9786 0.8062 0.7814 0.7104
CE (18:2) [Chol-head -H2O+H]+ 1.0864 1.0320 1.0439 1.0632 1.0027 0.9881 0.8573 0.8522 0.8070
CE (18:2) [M+Chol-head -H2O+H]+ 1.1052 1.0364 1.0691 1.0730 1.0203 0.9900 0.7839 0.8019 0.7360
CE (18:2) [M+Na]+ 1.0769 0.9550 0.9992 1.0757 0.9791 1.0131 1.1306 0.9540 0.8312
CE (18:2) [M+NH4]+ 1.1153 1.0257 1.0518 1.0964 1.0026 0.9919 0.8378 0.7996 0.7474
CE (18:3) [2M+Na]+ 1.1997 0.9372 0.9313 1.2411 0.9508 1.1392 0.9814 0.7192 0.5600
CE (18:3) [2M+NH4]+ NA NA NA NA NA NA NA NA NA
CE (18:3) [Chol-head -H2O+H]+ 0.8647 1.0006 1.0734 1.0165 1.0707 1.0647 0.5978 0.7827 1.1948
CE (18:3) [M+Chol-head -H2O+H]+ NA NA NA NA NA NA NA NA NA
CE (18:3) [M+Na]+ 1.1739 0.8466 0.9391 1.2887 0.9501 1.0748 1.0617 0.8113 0.6617
CE (18:3) [M+NH4]+ 0.9798 1.0145 0.9633 1.0275 1.0626 1.1274 0.6994 0.8569 0.8812
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]+ 1.0910 0.8144 1.0517 1.1982 1.1225 0.9941 0.4984 0.8589 0.7121
CE (20:2) [M+Chol-head -H2O+H]+ NA NA NA NA NA NA NA NA NA
CE (20:2) [M+Na]+ NA NA NA NA NA NA NA NA NA
CE (20:2) [M+NH4]+ NA NA NA NA NA NA NA NA NA
CE (20:3) [2M+Na]+ NA NA NA NA NA NA NA NA NA
CE (20:3) [2M+NH4]+ NA NA NA NA NA NA NA NA NA
CE (20:3) [Chol-head -H2O+H]+ NA NA NA NA NA NA NA NA NA
CE (20:3) [M+Chol-head -H2O+H]+ NA NA NA NA NA NA NA NA NA
CE (20:3) [M+Na]+ NA NA NA NA NA NA NA NA NA
CE (20:3) [M+NH4]+ 1.3500 0.9860 0.9278 1.2166 0.9682 0.9215 0.9789 0.7040 0.6869
CE (20:4) [2M+Na]+ 1.2645 1.0564 1.1017 1.2023 0.8127 0.7984 1.1893 0.8997 0.6779
CE (20:4) [2M+NH4]+ 1.1261 1.1053 1.0825 1.0719 1.0295 0.9165 0.6614 0.7461 0.7814
CE (20:4) [Chol-head -H2O+H]+ 1.0479 1.1121 1.1242 1.0005 1.0338 0.9546 0.6808 0.7808 0.8485
CE (20:4) [M+Chol-head -H2O+H]+ NA NA NA NA NA NA NA NA NA
CE (20:4) [M+Na]+ 1.2454 1.0570 1.0461 1.1784 0.8315 0.8480 1.2444 0.9327 0.6677
CE (20:4) [M+NH4]+ 1.1110 1.1054 1.1146 1.0724 0.9963 0.9112 0.7495 0.7677 0.7809
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]+ 0.9374 1.0575 0.9580 1.0241 1.1173 1.1374 0.4295 0.9335 0.6947
CE (20:5) [M+Chol-head -H2O+H]+ NA NA NA NA NA NA NA NA NA
CE (20:5) [M+Na]+ 1.0998 0.9830 0.9693 1.3450 0.9786 0.9132 0.7154 0.8892 0.5980
CE (20:5) [M+NH4]+ 0.8636 0.9913 1.0164 1.0437 1.0810 1.1381 0.4174 1.0035 0.7907
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]+ 0.9708 1.0370 1.0902 1.0733 1.0894 0.9603 0.8725 0.9649 0.6191
CE (22:2) [M+Chol-head -H2O+H]+ NA NA NA NA NA NA NA NA NA
CE (22:2) [M+Na]+ NA NA NA NA NA NA NA NA NA
CE (22:2) [M+NH4]+ NA NA NA NA NA NA NA NA NA
CE (22:6) [2M+Na]+ NA NA NA NA NA NA NA NA NA
CE (22:6) [2M+NH4]+ NA NA NA NA NA NA NA NA NA
CE (22:6) [Chol-head -H2O+H]+ NA NA NA NA NA NA NA NA NA
CE (22:6) [M+Chol-head -H2O+H]+ NA NA NA NA NA NA NA NA NA
CE (22:6) [M+Na]+ 1.1703 0.9694 1.0120 1.1826 1.0355 0.9756 0.6656 0.7443 0.7209
CE (22:6) [M+NH4]+ 0.8396 1.1240 1.0511 1.0224 1.0710 1.0571 0.6786 0.8014 1.0019
Cer (d34:1) [M+H]+ NA NA NA NA NA NA NA NA NA
Cer (d34:1) [M+H-H2O]+ NA NA NA NA NA NA NA NA NA
Cer (d34:1) [M+Na]+ 0.9762 1.1360 1.0692 0.9102 1.0189 1.0175 0.4891 0.9122 0.9884
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]+ 0.9866 1.1099 1.0658 0.9521 0.9983 0.9976 0.5322 0.8622 1.0903
Cer (d40:1) [M+H-H2O]+ 0.9955 1.0907 1.0895 0.9577 1.0191 0.9535 0.8177 0.8701 1.0333
Cer (d40:1) [M+Na]+ 0.9968 1.1157 1.0904 0.9383 0.9950 0.9649 0.7069 0.8586 1.0887
Cer (d41:1) [M+H]+ 1.0129 1.0800 1.0769 0.9356 1.0306 0.9964 0.5651 0.8576 1.0433
Cer (d41:1) [M+H-H2O]+ 1.0157 1.1296 1.0620 0.9885 0.9952 0.9601 0.6729 0.8427 1.0106
Cer (d41:1) [M+Na]+ 0.9807 1.0963 1.0787 0.9724 1.0244 0.9882 0.5704 0.8291 1.0635
Cer (d42:1) [M+H]+ 1.0222 1.0899 1.0957 0.9712 1.0041 0.9612 0.7023 0.8221 1.0505
Cer (d42:1) [M+H-H2O]+ 0.9981 1.1243 1.0696 0.9428 1.0181 1.0020 0.6454 0.8284 1.0261
Cer (d42:1) [M+Na]+ 1.0203 1.1076 1.0922 0.9736 0.9889 0.9800 0.7016 0.8148 1.0238
Cer (d42:2) A [M+H]+ 0.9496 1.0382 0.9930 0.9366 1.0884 1.0924 0.6341 0.9095 0.9891
Cer (d42:2) A [M+H-H2O]+ 1.0125 1.0241 0.9975 1.0167 1.0200 0.9776 0.7252 0.9374 1.0492
Cer (d42:2) A [M+Na]+ 0.9275 1.0775 1.0085 0.9550 1.0714 1.0544 0.6871 0.9109 0.9916
Cer (d42:2) B [M+H]+ NA NA NA NA NA NA NA NA NA
Cer (d42:2) B [M+H-H2O]+ NA NA NA NA NA NA NA NA NA
Cer (d42:2) B [M+Na]+ 1.0357 1.1020 1.1044 0.9342 0.9719 0.9955 0.6316 0.7960 1.1121
Cholesterol [M-H2O+H]+ 1.0008 1.0619 1.0618 0.9777 1.0053 0.9925 0.7528 0.9160 0.9803
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]+ 0.9479 1.0005 0.9822 0.9670 1.0063 0.9569 2.4276 1.0139 0.9859
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]+ 0.9851 0.9682 0.9810 1.0052 0.9798 1.0419 1.1315 1.0184 1.0181
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]+ NA NA NA NA NA NA NA NA NA
DG (34:1) [M+NH4]+ NA NA NA NA NA NA NA NA NA
DG (34:2) [M+K]+ NA NA NA NA NA NA NA NA NA
DG (34:2) [M+Na]+ NA NA NA NA NA NA NA NA NA
DG (34:2) [M+NH4]+ NA NA NA NA NA NA NA NA NA
DG (34:3) [M+K]+ NA NA NA NA NA NA NA NA NA
DG (34:3) [M+Na]+ NA NA NA NA NA NA NA NA NA
DG (34:3) [M+NH4]+ NA NA NA NA NA NA NA NA NA
DG (36:0) [M+K]+ NA NA NA NA NA NA NA NA NA
DG (36:0) [M+Na]+ NA NA NA NA NA NA NA NA NA
DG (36:0) [M+NH4]+ NA NA NA NA NA NA NA NA NA
DG (36:1) [M+K]+ NA NA NA NA NA NA NA NA NA
DG (36:1) [M+Na]+ NA NA NA NA NA NA NA NA NA
DG (36:1) [M+NH4]+ NA NA NA NA NA NA NA NA NA
DG (36:2) [M+K]+ NA NA NA NA NA NA NA NA NA
DG (36:2) [M+Na]+ 0.9421 1.2095 1.1718 0.9058 0.9505 0.9043 0.5982 0.9016 1.1078
DG (36:2) [M+NH4]+ NA NA NA NA NA NA NA NA NA
DG (36:3) [M+K]+ NA NA NA NA NA NA NA NA NA
DG (36:3) [M+Na]+ 0.7998 1.1845 1.2076 0.7979 1.0359 1.0210 0.9312 0.8483 1.1768
DG (36:3) [M+NH4]+ 0.7554 1.2578 1.1960 0.7675 1.0525 1.0108 0.5506 0.9048 1.1867
DG (36:4) A [M+K]+ NA NA NA NA NA NA NA NA NA
DG (36:4) A [M+Na]+ NA NA NA NA NA NA NA NA NA
DG (36:4) A [M+NH4]+ NA NA NA NA NA NA NA NA NA
DG (36:4) B [M+K]+ NA NA NA NA NA NA NA NA NA
DG (36:4) B [M+Na]+ NA NA NA NA NA NA NA NA NA
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]+ NA NA NA NA NA NA NA NA NA
DG (36:5) [M+NH4]+ 0.7996 0.7613 0.8684 0.7889 1.2638 1.4873 0.7977 0.9255 1.1057
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]+ NA NA NA NA NA NA NA NA NA
DG (38:5) [M+NH4]+ NA NA NA NA NA NA NA NA NA
DG (38:6) [M+K]+ NA NA NA NA NA NA NA NA NA
DG (38:6) [M+Na]+ 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]+ 0.9725 1.0736 1.0621 0.9997 1.0326 0.9923 0.6442 0.7892 1.1169
Hex2Cer (d34:1) [M-H2O+H]+ NA NA NA NA NA NA NA NA NA
Hex2Cer (d34:1) [M+Na]+ 0.9649 0.9769 1.0582 1.0321 1.0226 1.0753 0.6303 0.7909 1.1019
HexCer (d40:1) [M+H]+ 1.0279 1.0356 1.0934 0.9673 1.0509 1.0008 0.6848 0.8135 0.9873
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]+ 1.0158 1.0334 1.0193 0.9932 1.0404 1.0309 0.7975 0.8307 1.0152
HexCer (d42:1) [M-H2O+H]+ NA NA NA NA NA NA NA NA NA
HexCer (d42:1) [M+Na]+ 0.9371 1.1173 1.0364 0.9974 1.0753 1.0347 0.2361 0.7719 1.0772
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]+ 1.0005 1.0714 1.0013 1.0170 1.0397 0.9683 0.8856 0.8248 1.0842
LPC (15:0) [M+H]+ 1.0206 1.1003 0.9926 0.9973 1.0682 0.9554 0.6764 0.8833 0.9668
LPC (16:0) [M+H]+ 1.0094 1.0872 0.9782 1.0377 1.0876 0.9404 1.0380 0.8326 0.9493
LPC (16:1) [M+H]+ 1.0230 1.0511 0.9375 1.0654 1.0553 0.9441 1.3065 0.8597 0.9835
LPC (18:0) [M+H]+ 1.0325 1.0660 0.9944 1.0553 1.0599 0.9541 1.0020 0.8101 0.9460
LPC (18:1) [M+H]+ 1.0723 1.0763 0.9771 1.1229 1.0592 0.9243 0.8447 0.7932 0.8558
LPC (18:2) [M+H]+ 0.9392 1.0948 0.9981 1.0104 1.1450 1.0304 0.6525 0.8313 0.8495
LPC (18:3) [M+H]+ 0.6087 0.6423 0.5881 0.6765 1.3841 2.2183 0.5968 0.7529 0.9594
LPC (20:3) [M+H]+ 1.0859 1.0821 0.9040 1.1135 1.0337 0.9306 0.7628 0.8174 1.0061
LPC (20:4) [M+H]+ 1.0928 1.0557 0.9242 1.1398 1.0599 0.9120 0.8139 0.8120 0.9278
LPC (20:5) [M+H]+ 0.9667 0.9305 0.8559 1.2197 1.1607 0.9857 0.6719 0.8804 0.9336
LPC (22:5) [M+H]+ 1.0549 0.9232 0.8927 1.1851 1.0130 0.9989 0.9936 0.9649 0.8792
LPE (18:0) [M+H]+ 0.8117 1.0812 0.8260 1.1759 1.3464 0.9196 0.7227 0.8886 0.8127
LPE (18:2) [M+H]+ 0.6928 1.2255 1.1237 0.6855 1.2512 1.1168 0.6648 0.9223 0.9821
LPE (20:4) [M+H]+ NA NA NA NA NA NA NA NA NA
LPE (22:3) [M+H]+ 1.0048 1.0323 1.0289 1.0117 1.0206 0.9847 0.8965 0.8487 1.0781
LPE (22:6) [M+H]+ 0.9091 1.0285 0.9355 1.1161 1.1192 0.9910 0.8341 0.8429 1.0247
PC (28:0) [M+H]+ 0.7745 1.0746 1.2608 0.7395 1.0261 1.2238 0.4172 0.8298 1.1753
PC (30:0) [M+H]+ 1.0124 1.0436 1.0419 1.0214 1.0152 1.0173 0.5589 0.7566 1.1390
PC (31:0) [M+H]+ 1.0124 1.0683 1.0612 0.9932 1.0527 0.9967 0.4119 0.8208 1.0089
PC (31:1) [M+H]+ 0.9883 0.9911 0.9876 0.9994 1.0806 0.9714 0.5405 0.9688 1.0916
PC (32:0) [M+H]+ 0.9760 1.0404 1.0619 0.9974 1.0579 1.0442 0.6821 0.8161 0.9638
PC (32:1) [M+H]+ 0.9442 1.0287 1.0213 1.0180 1.0593 1.0005 0.8556 0.8409 1.1078
PC (32:2) [M+H]+ 0.9563 1.0468 1.1037 0.9593 1.0257 1.0503 0.5283 0.7757 1.1397
PC (33:0) [M+H]+ 1.0096 1.0668 1.0470 0.9988 1.0325 0.9983 0.4782 0.8425 1.0287
PC (33:1) [M+H]+ 1.0004 1.0698 1.0557 0.9945 1.0619 0.9919 0.4610 0.8248 1.0125
PC (33:2) [M+H]+ 0.9782 1.0932 1.0909 0.9735 1.0657 1.0272 0.3830 0.7847 0.9756
PC (34:0) [M+H]+ 1.0116 1.0500 1.0735 1.0078 1.0232 1.0381 0.6190 0.8121 0.9357
PC (34:1) [M+H]+ 0.9733 1.0614 1.0641 0.9982 1.0455 1.0147 0.7021 0.8345 0.9820
PC (34:2) [M+H]+ 0.9339 1.0509 1.0692 0.9750 1.0490 1.0504 0.7052 0.8695 0.9829
PC (34:3) A [M+H]+ 0.8888 1.0582 1.0880 0.9550 1.0820 1.0680 0.7146 0.8532 0.9763
PC (34:3) B [M+H]+ 0.9380 1.0259 0.9899 1.0375 1.0848 1.0255 0.6794 0.8051 1.1239
PC (34:3) C [M+H]+ 0.5449 0.6473 0.6311 0.4826 1.3778 2.2668 0.5218 0.7981 1.2722
PC (34:4) [M+H]+ 0.9874 1.0753 1.0883 0.9500 0.9962 1.0184 0.5169 0.7975 1.1762
PC (35:1) [M+H]+ 0.9832 1.1000 1.0888 0.9658 1.0405 1.0133 0.4783 0.8129 0.9977
PC (35:2) A [M+H]+ 0.9688 1.1087 1.1315 0.9314 1.0597 1.0318 0.3842 0.8187 0.9266
PC (35:2) B [M+H]+ 0.9337 1.1056 1.1154 0.9325 1.0693 1.0480 0.4757 0.8112 0.9691
PC (35:3) [M+H]+ 0.9845 1.0716 1.0837 0.9506 1.0480 1.0367 0.4245 0.7672 1.1069
PC (35:4) [M+H]+ 0.9914 1.0957 1.1003 0.9640 1.0374 1.0165 0.4016 0.8005 1.0047
PC (36:1) [M+H]+ 0.9444 1.0668 1.0911 0.9721 1.0537 1.0369 0.6547 0.8303 0.9810
PC (36:2) [M+H]+ 0.9127 1.0815 1.0968 0.9444 1.0743 1.0678 0.6267 0.8248 0.9653
PC (36:3) A [M+H]+ 0.9275 1.1049 1.1682 0.9400 1.0672 1.0589 0.5809 0.7640 0.8911
PC (36:3) B [M+H]+ 0.9797 1.1066 1.0979 0.9445 0.9915 1.0082 0.6930 0.8025 1.1119
PC (36:4) A [M+H]+ 0.9160 1.0294 1.0809 1.0044 1.0791 1.1139 0.5658 0.7399 0.9900
PC (36:4) B [M+H]+ 0.6089 0.7716 0.6504 0.7707 1.2279 1.7638 0.7138 1.0112 1.3013
PC (36:4) C [M+H]+ 0.9730 1.0769 1.0786 0.9702 1.0477 1.0153 0.6975 0.8236 0.9952
PC (36:5) A [M+H]+ 0.8031 0.9998 1.1178 1.0019 1.1266 1.2021 0.5443 0.7028 0.9684
PC (36:5) B [M+H]+ NA NA NA NA NA NA NA NA NA
PC (36:5) C [M+H]+ 0.9183 1.0329 1.0710 0.9209 1.0927 1.0964 0.7475 0.8265 1.0243
PC (36:5) D [M+H]+ 0.8677 0.9864 0.9699 1.0899 1.1508 1.0820 0.5435 0.8706 0.9275
PC (36:6) [M+H]+ 0.9574 1.0419 1.0669 0.9838 1.0596 1.0325 0.4547 0.8318 1.0620
PC (37:2) [M+H]+ 0.9479 1.0848 1.0863 0.9355 1.0589 1.0499 0.5909 0.8608 0.9551
PC (37:4) [M+H]+ 0.9927 1.0937 1.1097 0.9624 1.0472 1.0136 0.3711 0.8280 0.9404
PC (37:5) [M+H]+ 0.9539 1.0521 1.0543 0.9958 1.1072 1.0345 0.3919 0.8419 0.9356
PC (37:6) [M+H]+ 0.9686 1.0471 1.0555 1.0214 1.0845 1.0039 0.3268 0.8652 0.9530
PC (38:1) [M+H]+ 0.9740 1.1153 0.9885 0.8536 1.1447 0.9943 0.4911 0.6809 1.4409
PC (38:2) [M+H]+ 0.9669 1.0626 1.0490 0.9768 1.0265 1.0113 0.8374 0.8204 1.1128
PC (38:3) [M+H]+ 0.9664 1.0830 1.0733 0.9494 1.0168 1.0134 0.6859 0.8160 1.1381
PC (38:4) A [M+H]+ 1.0107 1.1132 1.1226 0.9481 0.9363 1.0279 0.6121 0.7951 1.0850
PC (38:4) B [M+H]+ 0.9756 1.0699 1.0617 0.9534 1.0126 0.9950 0.8873 0.8103 1.1783
PC (38:4) C [M+H]+ 0.9760 1.0748 1.0672 0.9749 1.0532 1.0190 0.6698 0.8129 1.0073
PC (38:5) A [M+H]+ 0.9841 1.0710 1.0647 0.9854 1.0542 1.0077 0.6480 0.8030 1.0224
PC (38:5) B [M+H]+ 0.8913 1.0161 1.0026 1.0543 1.1097 1.0792 0.6811 0.7662 1.0594
PC (38:6) A [M+H]+ 1.0079 1.0672 1.0519 1.0084 1.0379 1.0089 0.6143 0.7750 1.0389
PC (38:6) B [M+H]+ 0.9347 1.0289 1.0160 1.0449 1.1266 1.0307 0.4986 0.8408 0.9352
PC (38:6) C [M+H]+ 0.9534 1.1404 1.1367 0.9270 1.0228 1.0244 0.5627 0.7056 1.1247
PC (38:7) [M+H]+ 0.8783 1.1026 0.9776 1.0282 1.1135 1.0073 0.4169 0.9425 0.9579
PC (39:4) [M+H]+ 0.9688 1.1157 1.1029 0.9899 1.0442 0.9926 0.6209 0.8342 0.8910
PC (40:4) [M+H]+ 0.9606 1.0456 1.0516 0.9758 1.0251 0.9952 0.9720 0.8248 1.1614
PC (40:5) A [M+H]+ 0.9516 1.0416 1.0314 0.9991 1.0570 1.0354 0.6921 0.8150 1.0884
PC (40:5) B [M+H]+ 0.9586 1.0679 1.0623 0.9549 1.0229 1.0074 0.8424 0.7979 1.1898
PC (40:6) A [M+H]+ 0.9925 1.0605 1.1142 0.9711 1.0629 0.9973 0.7695 0.7463 1.0233
PC (40:6) B [M+H]+ 0.9245 1.0173 1.0205 1.0277 1.1015 1.0274 0.5625 0.8638 1.0225
PC (40:7) A [M+H]+ 0.9460 0.9898 1.0304 0.9995 1.0675 1.0786 0.5043 0.8103 1.1312
PC (40:7) B [M+H]+ 0.9784 1.0852 1.0828 1.0114 1.0891 1.0170 0.4893 0.7622 0.9076
PC (40:8) [M+H]+ 0.9868 1.0436 1.0348 0.9949 1.1026 1.0766 0.5821 0.7322 0.9718
PC (42:10) [M+H]+ 0.9621 1.0228 1.0416 1.0282 1.0852 1.0499 0.5269 0.8153 0.9595
PC (o-32:0) [M+H]+ 0.9769 1.0537 1.0553 1.0144 1.0819 1.0185 0.6592 0.8205 0.9133
PC (o-34:0) [M+H]+ 0.9849 1.0193 1.0890 1.0063 1.0554 1.0269 0.6681 0.8575 0.8990
PC (p-32:1) or PC (o-32:2) [M+H]+ NA NA NA NA NA NA NA NA NA
PC (p-34:0) or PC (o-34:1) [M+H]+ 0.7411 1.2962 1.0582 0.7974 1.0599 1.0288 0.3609 0.9744 0.9851
PC (p-34:1) or PC (o-34:2) [M+H]+ 0.9554 1.0120 1.0076 1.0670 1.1095 1.0371 0.8139 0.8524 0.8389
PC (p-34:2) or PC (o-34:3) [M+H]+ 0.9260 1.0334 1.0399 1.0341 1.1304 1.0584 0.5982 0.8222 0.8581
PC (p-36:1) or PC (o-36:2) A [M+H]+ 0.9978 1.0365 1.0445 1.0255 1.0818 1.0423 0.7716 0.8039 0.8532
PC (p-36:1) or PC (o-36:2) B [M+H]+ 0.8973 1.1001 1.0887 1.0678 1.1368 1.0069 0.3725 0.8280 0.7461
PC (p-36:2) or PC (o-36:3) [M+H]+ 0.9443 1.0305 1.0454 1.0372 1.1177 1.0520 0.5999 0.7942 0.8932
PC (p-36:4) or PC (o-36:5) [M+H]+ 0.9996 1.0913 1.0834 0.9959 1.0690 0.9779 0.6293 0.8355 0.8782
PC (p-36:5) or PC (o-36:6) [M+H]+ 0.9615 0.9361 0.7387 1.2136 1.0078 1.1544 0.3216 1.0333 0.9863
PC (p-38:3) or PC (o-38:4) A [M+H]+ 0.9948 1.0477 1.1078 0.9874 1.0456 1.0010 0.7782 0.7679 1.0171
PC (p-38:3) or PC (o-38:4) B [M+H]+ 1.0219 1.0892 1.0822 0.9931 1.0478 0.9944 0.6002 0.8003 0.9154
PC (p-38:4) or PC (o-38:5) A [M+H]+ 1.0084 1.0770 1.0698 1.0057 1.0637 1.0001 0.6685 0.7931 0.9132
PC (p-38:4) or PC (o-38:5) B [M+H]+ 0.9925 1.0899 1.0856 0.9757 1.0414 0.9799 0.7506 0.8724 0.9121
PC (p-38:5) or PC (o-38:6) A [M+H]+ 0.9400 1.0102 0.9976 1.0667 1.1322 1.0286 0.5357 0.9118 0.8288
PC (p-38:5) or PC (o-38:6) B [M+H]+ 0.9791 1.0598 1.0566 1.0025 1.0923 0.9968 0.7685 0.8107 0.9378
PC (p-38:6) or PC (o-38:7) [M+H]+ 0.9740 1.0321 1.0041 1.0602 1.0897 1.0048 0.5324 0.9288 0.8395
PC (p-40:3) or PC (o-40:4) [M+H]+ 1.0179 1.0764 1.0588 1.0106 1.0523 1.0115 0.5694 0.8021 0.9131
PC (p-40:4) or PC (o-40:5) [M+H]+ 1.0093 1.0693 1.0843 1.0169 1.0499 1.0018 0.5674 0.7953 0.9170
PC (p-40:5) or PC (o-40:6) [M+H]+ 1.0006 0.9703 1.0635 1.0912 1.1318 0.9121 0.5667 0.8922 0.8826
PC (p-40:6) or PC (o-40:7) A [M+H]+ 0.9565 1.0318 1.0250 1.0711 1.0922 1.0265 0.5589 0.8392 0.8851
PC (p-40:6) or PC (o-40:7) B [M+H]+ 0.9855 1.0828 1.0156 0.9894 1.0743 1.0211 0.4048 0.8876 0.9334
PC (p-42:2) or PC (o-42:3) [M+H]+ 0.9833 1.0212 1.0181 1.0469 1.0268 1.0257 0.7189 0.8691 0.9889
PC (p-42:4) or PC (o-42:5) [M+H]+ 1.0135 1.0809 1.0787 1.0008 1.0479 0.9846 0.6276 0.8049 0.9481
PC (p-42:5) or PC (o-42:6) A [M+H]+ 1.0126 1.0649 1.0602 0.9700 1.0527 0.9782 0.7357 0.7871 1.0948
PC (p-42:5) or PC (o-42:6) B [M+H]+ 1.0081 1.0641 1.0486 1.0174 1.0122 1.0320 0.6886 0.8202 0.9549
PC (p-44:4) or PC (o-44:5) [M+H]+ 1.0106 1.0928 1.0692 0.9952 1.0339 0.9872 0.5850 0.7741 1.0406
PE (34:2) [M+H]+ 0.7676 1.1586 1.0861 0.8019 1.2459 1.0505 0.6779 0.9030 0.9690
PE (36:1) [M+H]+ 0.6135 1.2242 1.1757 0.6980 1.2423 1.1008 0.5834 0.9800 0.9964
PE (36:2) [M+H]+ 0.4826 1.2265 1.1041 0.5349 1.1634 1.0160 0.2548 1.1820 1.3871
PE (36:4) [M+H]+ NA NA NA NA NA NA NA NA NA
PE (38:4) [M+H]+ 0.8415 1.0833 1.0388 0.8754 1.1976 1.0728 0.4661 0.9205 0.9781
PE (38:6) [M+H]+ 0.9418 1.0364 0.8876 1.0926 1.1993 0.9516 0.5009 0.9188 0.9543
PE (p-34:1) or PE (o-34:2) [M+H]+ 0.8957 0.9602 1.0744 0.9957 1.0300 1.1478 0.8313 0.9051 0.9338
PE (p-36:1) or PE (o-36:2) [M+H]+ NA NA NA NA NA NA NA NA NA
PE (p-36:2) or PE (o-36:3) [M+H]+ 0.9845 1.0756 1.0888 0.9655 1.0279 1.0230 0.7061 0.8724 0.9164
PE (p-36:4) or PE (o-36:5) [M+H]+ 0.9593 1.0104 1.0883 0.9763 1.0932 1.0578 0.4880 0.9610 0.7650
PE (p-38:4) or PE (o-38:5) [M+H]+ 0.9940 1.0473 1.1299 0.9286 1.0650 1.0542 0.5159 0.8947 0.8071
PE (p-38:5) or PE (o-38:6) [M+H]+ 0.9498 1.0243 1.0656 0.9979 1.1027 1.0493 0.6274 0.8970 0.8197
PE (p-40:4) or PE (o-40:5) A [M+H]+ 0.9870 0.8742 1.0684 0.9456 1.1976 1.2487 0.3868 0.8081 0.6890
PE (p-40:4) or PE (o-40:5) B [M+H]+ 1.0406 1.0095 1.1180 0.9583 1.0568 1.0159 0.5909 0.9198 0.7977
PE (p-40:5) or PE (o-40:6) [M+H]+ 0.9449 0.9884 1.0813 0.9995 1.0835 1.0944 0.5624 0.9369 0.7623
SM (d30:1) [M+H]+ 0.9552 1.0362 1.0562 0.9887 1.0502 1.0288 0.4825 0.8923 1.0209
SM (d32:0) [M+H]+ 1.0062 1.0527 1.0329 0.9931 1.0762 1.0136 0.5195 0.8552 0.9474
SM (d32:1) [M+H]+ 0.9940 1.0716 1.0774 0.9772 1.0387 1.0225 0.4951 0.8152 1.0076
SM (d32:2) [M+H]+ 0.9921 1.0212 1.0732 1.0036 1.0427 1.0119 0.5836 0.8512 1.0054
SM (d33:1) [M+H]+ 1.0082 1.0733 1.0814 0.9815 1.0493 1.0022 0.5140 0.8332 0.9490
SM (d34:0) [M+H]+ 0.9878 1.0448 1.0558 1.0201 1.0622 1.0099 0.8057 0.8349 0.9070
SM (d34:1) [M+H]+ 0.9983 1.0700 1.0738 0.9915 1.0552 1.0065 0.7360 0.8086 0.9388
SM (d34:2) [M+H]+ 1.0103 1.0702 1.0710 0.9888 1.0433 0.9935 0.7550 0.8093 0.9756
SM (d36:0) [M+H]+ 0.9777 1.0229 1.0251 1.0441 1.0580 0.9884 0.9988 0.8755 0.9366
SM (d36:1) [M+H]+ 0.9969 1.0685 1.0617 0.9975 1.0596 0.9876 0.6780 0.8325 0.9628
SM (d36:2) [M+H]+ 1.0036 1.0820 1.0769 0.9938 1.0675 0.9906 0.6044 0.7937 0.9494
SM (d36:3) [M+H]+ 1.0313 1.0782 1.0884 0.9468 1.0480 0.9623 0.9568 0.8171 0.9814
SM (d38:1) [M+H]+ 1.0131 1.0849 1.0748 0.9886 1.0312 0.9930 0.5390 0.8077 1.0070
SM (d38:2) [M+H]+ 0.9924 1.0676 1.0570 1.0049 1.0561 1.0050 0.6244 0.8062 0.9867
SM (d39:1) [M+H]+ 1.0117 1.0922 1.0837 0.9829 1.0468 0.9976 0.4728 0.8028 0.9661
SM (d40:0) [M+H]+ 0.9849 1.0222 1.0320 1.0150 1.0570 0.9947 0.8662 0.8490 1.0283
SM (d40:1) [M+H]+ 1.0114 1.0696 1.0831 0.9866 1.0379 1.0085 0.6771 0.8021 0.9607
SM (d40:2) A [M+H]+ 1.0455 1.0386 1.1472 0.9766 1.0373 1.0337 0.5594 0.8602 0.7306
SM (d40:2) B [M+H]+ 0.9373 1.0320 0.9650 0.9903 1.0297 0.9880 0.6831 0.8582 1.3899
SM (d41:1) [M+H]+ 1.0021 1.0771 1.0680 1.0003 1.0553 1.0013 0.6275 0.8274 0.9141
SM (d41:2) A [M+H]+ 0.9915 1.0596 1.0428 0.9971 1.0773 1.0204 0.4880 0.8642 0.9096
SM (d41:2) B [M+H]+ 0.9894 1.0750 1.0633 1.0045 1.0676 1.0097 0.5713 0.8199 0.9205
SM (d42:1) [M+H]+ 0.9943 1.0628 1.0764 1.0071 1.0496 1.0041 0.7793 0.7982 0.9462
SM (d42:2) [M+H]+ 0.9783 1.0584 1.0585 0.9970 1.0769 1.0167 0.7314 0.8447 0.8967
SM (d42:3) [M+H]+ 0.9736 1.0620 1.0660 1.0013 1.0800 1.0130 0.6945 0.8183 0.9229
SM (d43:1) [M+H]+ 1.0048 1.0560 1.0697 1.0075 1.0641 1.0147 0.5011 0.8579 0.8622
SM (d43:2) [M+H]+ 0.9991 1.0526 1.0483 1.0123 1.0875 1.0268 0.4355 0.8588 0.8463
TG (40:0) [M+K]+ 0.5074 1.4094 1.1363 0.5199 1.3440 1.0467 0.8336 1.2487 0.7508
TG (40:0) [M+Na]+ 0.4852 1.4321 1.0751 0.4797 1.3099 1.0350 0.9954 1.1936 1.1115
TG (40:0) [M+NH4]+ 0.4592 1.4627 1.0637 0.4372 1.3362 1.0254 0.9327 1.2133 1.1647
TG (40:1) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (40:1) [M+Na]+ 0.3673 1.6363 1.2531 0.3582 1.2169 0.9565 0.9025 1.2492 1.1627
TG (40:1) [M+NH4]+ 0.2303 1.7769 1.1794 0.2859 1.3419 0.9229 0.8200 1.2556 1.1968
TG (42:0) [M+K]+ 0.6080 1.4141 1.1180 0.5755 1.1248 1.0043 0.8809 1.1982 1.0961
TG (42:0) [M+Na]+ 0.4914 1.4520 1.0812 0.4688 1.2479 1.0111 0.7305 1.2572 1.2175
TG (42:0) [M+NH4]+ 0.4066 1.3684 1.0232 0.3965 1.4483 1.1259 0.6538 1.1702 1.2822
TG (42:1) [M+K]+ 0.1768 1.7953 1.3113 0.1836 1.2534 0.9290 0.4187 1.3415 1.1040
TG (42:1) [M+Na]+ 0.1443 1.9393 1.3895 0.1368 1.2765 0.9397 0.3736 1.2851 1.0884
TG (42:1) [M+NH4]+ 0.1160 1.9774 1.3871 0.1216 1.3315 0.9324 0.3300 1.2803 1.1046
TG (42:2) [M+K]+ 0.1081 1.4666 1.0328 0.1098 1.4550 0.9886 0.1195 1.2023 1.3041
TG (42:2) [M+Na]+ 0.0625 1.5568 1.0631 0.0522 1.5711 1.0276 0.0462 1.2392 1.2914
TG (42:2) [M+NH4]+ 0.0592 1.6128 1.0683 0.0440 1.6548 1.0902 0.0880 1.2790 1.3666
TG (42:3) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (42:3) [M+Na]+ 0.1521 0.7531 0.4804 0.1404 2.1870 1.6014 0.1423 1.0095 1.7456
TG (42:3) [M+NH4]+ 0.1038 0.7491 0.4894 0.1040 2.1844 1.5740 0.1081 1.0650 1.7820
TG (44:0) [M+K]+ 0.4883 1.3167 1.1027 0.4830 1.3356 1.0403 0.4347 1.2572 1.2223
TG (44:0) [M+Na]+ 0.3796 1.3922 1.0776 0.3736 1.3942 1.0539 0.4771 1.3188 1.3198
TG (44:0) [M+NH4]+ 0.3050 1.5155 1.1365 0.2802 1.4133 1.1419 0.3497 1.1628 1.3337
TG (44:1) [M+K]+ 0.3583 1.7051 1.4444 0.2978 1.0981 0.9564 0.5066 1.2349 1.1556
TG (44:1) [M+Na]+ 0.2743 1.7696 1.4226 0.2423 1.1518 0.9915 0.3852 1.2310 1.1950
TG (44:1) [M+NH4]+ 0.2281 1.6991 1.3296 0.1896 1.3244 1.0957 0.2792 1.1511 1.2625
TG (44:2) [M+K]+ 0.2205 1.5181 1.1590 0.1880 1.4312 1.0861 0.2087 1.1936 1.3214
TG (44:2) [M+Na]+ 0.1680 1.5788 1.1767 0.1372 1.4793 1.1179 0.1757 1.2322 1.3812
TG (44:2) [M+NH4]+ 0.1564 1.5965 1.1790 0.1108 1.5512 1.1490 0.1374 1.2047 1.4174
TG (46:0) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (46:0) [M+Na]+ 0.6324 1.1409 1.0181 0.5873 1.2291 1.0662 0.8596 1.1986 1.4056
TG (46:0) [M+NH4]+ 0.6317 1.2012 1.0653 0.5594 1.2088 1.1160 0.7019 1.0821 1.3946
TG (46:1) [M+K]+ 0.3400 1.5724 1.3508 0.3248 1.1895 0.9920 0.4450 1.3201 1.1906
TG (46:1) [M+Na]+ 0.2886 1.6391 1.3855 0.2651 1.1972 1.0139 0.3119 1.2665 1.2638
TG (46:1) [M+NH4]+ 0.2458 1.8079 1.4679 0.2024 1.1887 1.0523 0.2011 1.0735 1.2309
TG (46:2) [M+K]+ 0.2397 1.5367 1.2611 0.2118 1.3596 1.1007 0.2044 1.3064 1.3460
TG (46:2) [M+Na]+ 0.2012 1.5344 1.2460 0.1603 1.4427 1.1370 0.1572 1.2553 1.3944
TG (46:2) [M+NH4]+ 0.1507 1.5207 1.1778 0.1109 1.5974 1.2485 0.0907 1.1138 1.4078
TG (46:3) A [M+K]+ 0.3364 1.6279 1.3511 0.2807 1.1864 1.0763 0.3643 1.1265 1.1732
TG (46:3) A [M+Na]+ 0.3016 1.6476 1.3385 0.2598 1.2789 1.0846 0.2258 1.0625 1.2405
TG (46:3) A [M+NH4]+ 0.2944 1.6417 1.3212 0.2455 1.3263 1.1195 0.2222 1.0633 1.2249
TG (46:3) B [M+K]+ 0.1718 0.6074 0.4512 0.1671 2.1499 1.7252 0.1493 1.1393 1.7893
TG (46:3) B [M+Na]+ 0.1266 0.6041 0.3977 0.1112 2.3334 1.8345 0.0956 1.1234 1.9251
TG (46:3) B [M+NH4]+ 0.1213 0.5372 0.3960 0.1044 2.3814 1.8905 0.0976 1.0458 1.9748
TG (46:4) A [M+K]+ 0.4228 1.3911 1.0289 0.3576 1.4349 1.0971 0.3565 1.1336 1.3057
TG (46:4) A [M+Na]+ 0.2867 1.4403 1.0456 0.2431 1.5667 1.0739 0.2324 1.1343 1.4444
TG (46:4) A [M+NH4]+ 0.2612 1.4063 1.0581 0.2155 1.5471 1.1057 0.1860 1.1142 1.3728
TG (46:4) B [M+K]+ NA NA NA NA NA NA NA NA NA
TG (46:4) B [M+Na]+ 0.3072 1.2230 0.8165 0.2756 1.6226 1.4305 0.2105 1.0811 1.3332
TG (46:4) B [M+NH4]+ 0.3152 1.0660 0.7813 0.2965 1.7042 1.5175 0.2082 0.9893 1.4318
TG (46:5) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (46:5) [M+Na]+ NA NA NA NA NA NA NA NA NA
TG (46:5) [M+NH4]+ 0.3300 0.5498 0.4595 0.2496 2.2275 1.6209 0.2116 1.0583 1.9010
TG (48:0) [M+K]+ 0.7210 0.9405 0.9770 0.7605 1.1879 1.1454 1.2138 1.2269 1.1333
TG (48:0) [M+Na]+ 0.7353 0.9811 0.9982 0.7349 1.1490 1.1657 1.1746 1.1360 1.2228
TG (48:0) [M+NH4]+ 0.6371 1.1063 1.0886 0.5985 1.2006 1.1521 0.8106 1.0777 1.3648
TG (48:1) [M+K]+ 0.6960 1.2089 1.0691 0.6686 1.0799 0.9550 0.8787 1.1464 1.5091
TG (48:1) [M+Na]+ 0.6849 1.2123 1.1184 0.6476 1.0719 0.9707 0.7377 1.1184 1.5253
TG (48:1) [M+NH4]+ 0.6918 1.2763 1.1690 0.6338 1.0627 1.0033 0.5870 1.0044 1.4622
TG (48:2) [M+K]+ 0.5985 1.3737 1.2319 0.5797 1.0913 0.9673 0.4932 1.1689 1.2356
TG (48:2) [M+Na]+ 0.5569 1.3955 1.2268 0.5214 1.1162 1.0122 0.4220 1.0918 1.3899
TG (48:2) [M+NH4]+ 0.5246 1.5321 1.3018 0.4176 1.1128 1.0874 0.2569 0.8900 1.4375
TG (48:3) [M+K]+ 0.2952 1.6536 1.4513 0.2506 1.2127 1.0342 0.2160 1.1995 1.1628
TG (48:3) [M+Na]+ 0.2517 1.7067 1.4534 0.2111 1.2402 1.0427 0.1429 1.1605 1.2202
TG (48:3) [M+NH4]+ 0.1960 1.7729 1.4264 0.1580 1.3465 1.1073 0.0983 1.0281 1.2018
TG (48:4) A [M+K]+ 0.1419 1.5109 1.2427 0.1143 1.5516 1.2178 0.1033 1.1996 1.3451
TG (48:4) A [M+Na]+ 0.1077 1.4822 1.2102 0.0933 1.6126 1.2610 0.0668 1.1680 1.4073
TG (48:4) A [M+NH4]+ 0.0979 1.4347 1.1195 0.0715 1.7534 1.3263 0.0577 1.0948 1.4095
TG (48:4) B [M+K]+ 0.2174 1.0995 0.8304 0.2005 1.9664 1.6004 0.1283 0.7563 1.3972
TG (48:4) B [M+Na]+ 0.1455 1.0013 0.7342 0.1325 2.0931 1.7289 0.1159 0.7229 1.7308
TG (48:4) B [M+NH4]+ 0.1088 0.6863 0.4854 0.1302 2.5395 1.9835 0.1266 0.5072 1.7156
TG (48:5) [M+K]+ 0.1153 0.5566 0.4361 0.1125 2.3990 1.8043 0.0995 1.0828 1.9450
TG (48:5) [M+Na]+ 0.0748 0.2794 0.2109 0.0692 2.7078 1.6828 0.0644 1.2355 2.0272
TG (48:5) [M+NH4]+ 0.0578 0.4813 0.3411 0.0578 2.5967 1.8875 0.0382 1.0003 2.0391
TG (48:6) [M+K]+ 0.1739 0.2357 0.2319 0.1816 2.1704 1.7425 0.2150 0.9738 1.8178
TG (48:6) [M+Na]+ 0.1715 0.1933 0.1889 0.1483 2.2272 1.8323 0.0829 0.9378 1.8464
TG (48:6) [M+NH4]+ 0.1448 0.1309 0.1485 0.1300 1.5782 1.2373 NA 0.6377 1.3024
TG (49:0) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (49:0) [M+Na]+ NA NA NA NA NA NA NA NA NA
TG (49:0) [M+NH4]+ 0.9527 1.0722 0.9728 0.9394 1.0485 0.9247 0.7639 0.9552 1.3115
TG (49:1) [M+K]+ 0.9936 1.1401 1.0585 0.9769 0.9297 0.8535 0.6953 0.9624 1.2610
TG (49:1) [M+Na]+ 0.9676 1.1478 1.0094 0.9117 1.0090 0.8831 0.5381 0.9432 1.3596
TG (49:1) [M+NH4]+ 0.8826 1.1562 1.0004 0.8224 1.0873 0.9934 0.3979 0.8318 1.5074
TG (49:2) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (49:2) [M+Na]+ 1.0229 1.2117 1.0528 0.9603 0.9021 0.8099 0.5347 0.9288 1.3462
TG (49:2) [M+NH4]+ 0.9280 1.1821 1.0186 0.8392 1.0720 0.9511 0.3459 0.8156 1.4528
TG (49:3) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (49:3) [M+Na]+ 0.9732 1.2655 1.0490 0.9056 0.9284 0.8320 0.4918 0.9542 1.3298
TG (49:3) [M+NH4]+ 0.7900 1.1897 1.0185 0.6965 1.1759 1.0840 0.2610 0.8323 1.4992
TG (50:0) [M+K]+ 1.1274 1.0636 1.2397 0.8199 0.8992 0.7739 2.0567 1.2475 0.4773
TG (50:0) [M+Na]+ 0.8347 0.9744 1.3471 1.0286 1.0168 0.6908 3.2351 1.2469 0.2999
TG (50:0) [M+NH4]+ 0.9649 0.9885 1.2391 0.9877 1.0750 0.7113 3.0268 1.2474 0.3432
TG (50:1) [M+K]+ 0.8589 1.0494 0.9895 0.8669 1.0733 0.9711 1.2097 1.0843 1.2313
TG (50:1) [M+Na]+ 0.8520 1.0342 0.9692 0.8563 1.0749 0.9863 1.1130 1.0763 1.3335
TG (50:1) [M+NH4]+ 0.7215 1.2372 1.1080 0.7080 1.0845 0.9715 0.6950 0.9900 1.4621
TG (50:2) [M+K]+ 0.8299 1.1260 1.0215 0.8072 1.0568 0.9385 0.8494 1.0880 1.3777
TG (50:2) [M+Na]+ 0.8176 1.1227 1.0178 0.8041 1.0672 0.9281 0.8103 1.0823 1.4398
TG (50:2) [M+NH4]+ 0.7831 1.1871 1.0628 0.7628 1.0945 0.9761 0.5952 0.9652 1.4337
TG (50:3) A [M+K]+ 0.8230 1.1427 1.0899 0.8155 1.0519 0.9683 0.7028 1.0504 1.2342
TG (50:3) A [M+Na]+ 0.7771 1.1634 1.1126 0.7641 1.0821 1.0062 0.5552 0.9769 1.3423
TG (50:3) A [M+NH4]+ 0.7123 1.3014 1.2053 0.6260 1.0942 1.0772 0.3478 0.8211 1.4068
TG (50:3) B [M+K]+ 0.4444 0.5442 0.5176 0.4320 1.6319 1.7127 0.4799 1.4802 1.6629
TG (50:3) B [M+Na]+ 0.3086 0.4762 0.4608 0.3100 1.8917 1.8143 0.4514 1.2606 1.9924
TG (50:3) B [M+NH4]+ 0.4448 0.4872 0.3998 0.3595 2.2521 2.1913 0.2238 0.7383 0.8622
TG (50:4) [M+K]+ 0.6445 1.1901 1.1343 0.6011 1.1730 1.1717 0.3612 0.9618 1.3668
TG (50:4) [M+Na]+ 0.6217 1.2182 1.1547 0.5548 1.1931 1.1979 0.3055 0.9026 1.4151
TG (50:4) [M+NH4]+ NA NA NA NA NA NA NA NA NA
TG (50:5) [M+K]+ 0.4597 0.7833 0.7250 0.3777 1.7468 1.6997 0.2936 0.8686 1.5894
TG (50:5) [M+Na]+ 0.4078 0.7335 0.6708 0.3371 1.7932 1.8112 0.1986 0.8575 1.6785
TG (50:5) [M+NH4]+ 0.3853 0.7356 0.6400 0.3198 1.8470 1.8561 0.1779 0.8031 1.6878
TG (50:6) [M+K]+ 0.3542 0.7589 0.7471 0.3227 1.7759 1.6573 0.1647 0.9003 1.4687
TG (50:6) [M+Na]+ 0.2811 0.7418 0.7070 0.2454 1.8767 1.8060 0.2854 0.9408 1.7304
TG (50:6) [M+NH4]+ 0.2484 0.7296 0.6870 0.2074 1.9532 1.8286 0.1710 0.9453 1.6663
TG (51:1) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (51:1) [M+Na]+ 0.9652 1.2210 0.8081 0.7328 0.7498 1.1529 0.4515 0.9829 1.5121
TG (51:1) [M+NH4]+ 0.9614 1.1158 0.9588 0.9427 1.0611 0.8992 0.4046 0.8787 1.4425
TG (51:2) [M+K]+ 1.0170 1.1838 1.0255 0.9988 0.9787 0.8379 0.5390 0.9405 1.1351
TG (51:2) [M+Na]+ 0.9942 1.1831 1.0115 0.9847 1.0135 0.8601 0.4413 0.8874 1.2146
TG (51:2) [M+NH4]+ 0.9050 1.1579 0.9930 0.8960 1.1093 0.9676 0.3381 0.8192 1.3513
TG (51:3) [M+K]+ 0.9777 1.1755 1.0896 0.9704 0.9524 0.8794 0.5636 0.9167 1.1616
TG (51:3) [M+Na]+ 0.9507 1.1982 1.0817 0.9159 0.9950 0.9020 0.4312 0.8607 1.2732
TG (51:3) [M+NH4]+ 0.8480 1.1338 1.0149 0.7747 1.1507 1.0866 0.3128 0.7818 1.4451
TG (51:4) [M+K]+ 0.9118 1.1173 1.0597 0.9211 1.0270 1.0260 0.4620 0.8389 1.2286
TG (51:4) [M+Na]+ 0.9029 1.1885 1.0587 0.8667 1.0500 1.0192 0.3912 0.7990 1.2640
TG (51:4) [M+NH4]+ 0.8243 1.1019 1.0271 0.7286 1.1917 1.1790 0.3041 0.7406 1.4032
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]+ 0.7045 1.0493 0.9295 0.6067 1.3046 1.4689 0.4293 0.7455 1.2928
TG (52:0) [M+K]+ 0.9763 1.1087 0.9443 0.9121 0.9858 0.9957 1.3596 0.8625 1.3204
TG (52:0) [M+Na]+ 0.8100 0.8814 1.3520 0.9268 1.0020 0.7305 5.7552 1.1900 0.3230
TG (52:0) [M+NH4]+ 1.0267 0.9016 1.1953 0.9806 0.9892 0.6952 2.6452 1.2319 0.2068
TG (52:1) [M+K]+ 0.7890 1.1917 1.0246 0.8126 1.0939 0.9303 0.9395 1.0861 1.2316
TG (52:1) [M+Na]+ 0.7082 1.2468 1.0387 0.7416 1.1453 0.9308 0.8077 1.0663 1.3528
TG (52:1) [M+NH4]+ 0.5569 1.3440 1.0834 0.5909 1.2688 1.0542 0.5783 0.9641 1.3592
TG (52:2) [M+K]+ 1.0181 1.0091 1.0098 0.9949 1.0142 0.9457 0.8813 1.0100 1.0343
TG (52:2) [M+Na]+ 0.9832 1.0536 1.0233 0.9743 1.0260 0.9201 0.7959 1.0026 1.0916
TG (52:2) [M+NH4]+ 0.8394 1.2578 1.1350 0.8394 1.0443 0.8740 0.5384 0.9581 1.2236
TG (52:3) [M+K]+ 0.9501 0.9897 1.0033 0.9683 1.0390 0.9862 0.9105 1.0235 1.1107
TG (52:3) [M+Na]+ 0.9190 1.0214 1.0151 0.9393 1.0408 0.9913 0.7925 1.0171 1.1677
TG (52:3) [M+NH4]+ 0.7702 1.1854 1.1130 0.7806 1.0945 0.9977 0.5040 0.9575 1.3055
TG (52:4) [M+K]+ 0.8691 0.9925 1.0225 0.8992 1.0601 1.0579 0.8051 1.0502 1.1578
TG (52:4) [M+Na]+ 0.7953 1.0351 1.0327 0.8253 1.1042 1.0929 0.6428 0.9901 1.3106
TG (52:4) [M+NH4]+ 0.6367 1.2146 1.1139 0.6193 1.2359 1.1970 0.3263 0.7958 1.3958
TG (52:5) [M+K]+ 0.5737 0.7499 0.7301 0.5561 1.5191 1.6269 0.3978 0.9941 1.4770
TG (52:5) [M+Na]+ 0.5319 0.7525 0.7049 0.5138 1.5931 1.6964 0.3154 0.8936 1.5510
TG (52:5) [M+NH4]+ 0.4154 0.7028 0.6245 0.3700 1.8601 1.9372 0.1810 0.6824 1.5869
TG (52:6) [M+K]+ 0.4523 0.5231 0.5524 0.3910 1.8771 1.7581 0.2755 0.9936 1.7800
TG (52:6) [M+Na]+ 0.3551 0.4771 0.4759 0.2989 2.0408 1.9033 0.2262 0.9461 1.8846
TG (52:6) [M+NH4]+ 0.2792 0.3877 0.3937 0.2407 2.2543 2.0394 0.1728 0.8470 1.8982
TG (53:0) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (53:0) [M+Na]+ NA NA NA NA NA NA NA NA NA
TG (53:0) [M+NH4]+ 0.9414 1.0595 0.9954 0.9361 1.0435 0.9744 0.8491 0.9974 1.1428
TG (53:1) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (53:1) [M+Na]+ 0.8809 1.2040 0.9116 0.8550 1.1690 0.8867 0.5779 0.9876 1.3064
TG (53:1) [M+NH4]+ 0.8089 1.1938 0.9022 0.8635 1.2062 0.9285 0.4709 0.9685 1.3473
TG (53:2) [M+K]+ 1.0226 1.1325 1.0251 0.9797 1.0191 0.8463 0.4671 0.9574 1.1507
TG (53:2) [M+Na]+ 0.9481 1.1847 1.0257 0.9463 1.0466 0.8759 0.4355 0.9182 1.2072
TG (53:2) [M+NH4]+ 0.9410 1.1635 1.0134 0.9433 1.0838 0.9027 0.5085 0.8697 1.2125
TG (53:3) [M+K]+ 0.9064 1.2052 1.0330 0.9273 1.0498 0.9041 0.5619 0.9303 1.1643
TG (53:3) [M+Na]+ 0.9015 1.2012 1.0518 0.9007 1.0618 0.9443 0.4180 0.8873 1.1813
TG (53:3) [M+NH4]+ 0.8535 1.1828 1.0375 0.8268 1.1276 1.0151 0.3684 0.8321 1.2977
TG (53:4) [M+K]+ 0.8983 1.1585 1.0647 0.8773 1.0498 0.9865 0.4980 0.9479 1.1255
TG (53:4) [M+Na]+ 0.8853 1.7147 0.8292 0.8743 1.1342 0.8774 1.1497 0.7100 0.7979
TG (53:4) [M+NH4]+ 0.8133 1.1797 1.0598 0.7877 1.1102 1.0818 0.3752 0.7959 1.3701
TG (54:0) [M+K]+ 0.9075 1.1077 1.0210 0.9631 1.0455 0.9493 0.8885 1.0200 1.0124
TG (54:0) [M+Na]+ 0.9104 1.1277 0.9894 0.8892 1.0664 0.9640 0.8346 1.0161 1.1310
TG (54:0) [M+NH4]+ 0.8533 1.1060 1.0334 0.8171 1.1181 0.9433 1.1508 1.0571 1.1664
TG (54:1) [M+K]+ 0.6062 1.3999 1.1104 0.5785 1.2319 0.9455 0.7412 1.0978 1.2091
TG (54:1) [M+Na]+ 0.5940 1.3852 1.0581 0.5873 1.2568 0.9726 0.6742 1.1079 1.2321
TG (54:1) [M+NH4]+ 0.4970 1.3627 1.0162 0.4810 1.4263 1.0660 0.5660 1.0521 1.3158
TG (54:2) [M+K]+ 0.7408 1.3599 1.1615 0.7410 1.1084 0.8955 0.6726 1.0619 1.0095
TG (54:2) [M+Na]+ 0.6521 1.4278 1.1938 0.6735 1.1347 0.8953 0.5926 1.0656 1.0879
TG (54:2) [M+NH4]+ 0.4935 1.5442 1.2375 0.5247 1.2510 0.9745 0.4209 0.9839 1.1391
TG (54:3) [M+K]+ 0.7692 1.2891 1.1768 0.7953 1.0325 0.9048 0.9285 1.1018 0.9796
TG (54:3) [M+Na]+ 0.6971 1.4040 1.2411 0.6867 1.0767 0.8996 0.6954 1.0786 0.9996
TG (54:3) [M+NH4]+ 0.6364 1.5757 1.3427 0.6248 1.0629 0.8569 0.4970 1.0021 0.9898
TG (54:4) [M+K]+ 0.6995 1.2880 1.1834 0.7165 1.0989 0.9935 0.6994 1.0863 1.0092
TG (54:4) [M+Na]+ 0.6401 1.4108 1.2859 0.6514 1.0657 0.9461 0.5618 1.1083 0.9927
TG (54:4) [M+NH4]+ 0.4885 1.6813 1.4288 0.5060 1.0780 0.8939 0.3502 1.0339 1.0305
TG (54:5) A [M+K]+ 0.5201 1.3353 1.2349 0.5643 1.1902 1.0331 0.6266 1.2116 1.0441
TG (54:5) A [M+Na]+ 0.4668 1.4276 1.2689 0.5028 1.2112 1.0266 0.4636 1.1330 1.1515
TG (54:5) A [M+NH4]+ 0.3618 1.6029 1.3002 0.3887 1.3302 1.0731 0.2560 0.9260 1.1878
TG (54:5) B [M+K]+ 0.9870 1.3195 1.2797 0.9749 0.7734 0.8259 0.9181 1.1889 0.4976
TG (54:5) B [M+Na]+ 0.8360 1.1256 1.1022 0.8078 0.9369 1.0714 0.7329 0.9285 1.4379
TG (54:5) B [M+NH4]+ 0.8112 1.1848 1.1658 0.7515 0.9617 1.1398 0.5695 0.7829 1.4117
TG (54:6) A [M+K]+ 0.4484 1.2832 1.1178 0.4815 1.3701 1.1092 0.5241 1.1179 1.3059
TG (54:6) A [M+Na]+ 0.4098 1.3124 1.0230 0.4428 1.4759 1.1756 0.4287 1.0566 1.3317
TG (54:6) A [M+NH4]+ 0.3543 1.3114 1.0442 0.3721 1.6041 1.2465 0.2846 0.8939 1.3926
TG (54:6) B [M+K]+ 0.2455 0.5042 0.4149 0.2423 2.0969 1.7619 0.2105 1.3026 1.9525
TG (54:6) B [M+Na]+ 0.2163 0.6595 0.6035 0.2458 2.0198 1.7354 0.2126 1.1428 1.7825
TG (54:6) B [M+NH4]+ 0.0693 0.2764 0.1852 0.1127 2.6017 2.1683 0.0236 0.9231 2.1069
TG (54:6) C [M+K]+ 0.8786 0.9651 0.9901 0.8735 0.9875 1.1458 0.8088 0.9352 1.4529
TG (54:6) C [M+Na]+ 0.7971 0.9749 0.9668 0.7587 1.1267 1.2602 0.6591 0.8634 1.4753
TG (54:6) C [M+NH4]+ 0.6766 1.1088 1.0763 0.5927 1.2278 1.3412 0.4120 0.7171 1.4627
TG (54:7) A [M+K]+ 0.2364 0.5262 0.4799 0.2505 2.2061 1.7601 0.2802 1.0870 1.8516
TG (54:7) A [M+Na]+ 0.1932 0.4772 0.4061 0.2105 2.3423 1.8078 0.2155 1.0275 1.9695
TG (54:7) A [M+NH4]+ 0.1570 0.3943 0.3331 0.1645 2.6071 1.8804 0.1572 0.8820 1.9423
TG (54:7) B [M+K]+ 0.4273 0.4887 0.4734 0.4148 1.9397 1.8723 0.2797 1.0313 1.6192
TG (54:7) B [M+Na]+ 0.3496 0.4265 0.4100 0.3418 2.0878 2.2044 0.2827 0.8338 1.4255
TG (54:7) B [M+NH4]+ 0.2204 0.2528 0.2478 0.1969 2.3997 2.2627 0.1143 0.8166 1.9200
TG (54:8) [M+K]+ 0.1193 0.1308 0.1257 0.1203 2.4476 2.3197 0.1207 1.1023 2.1181
TG (54:8) [M+Na]+ 0.0655 0.0736 0.0789 0.0722 2.5872 2.4031 0.0564 1.0251 2.1775
TG (54:8) [M+NH4]+ 0.0475 0.0561 0.0591 0.0431 2.7360 2.4351 0.0372 0.9093 2.1322
TG (54:9) [M+K]+ 0.2925 0.3066 0.2585 0.2202 1.5231 1.7790 0.3139 0.6806 1.3861
TG (54:9) [M+Na]+ 0.0533 0.0534 0.0624 0.0549 1.7091 2.0046 0.0245 0.6683 1.5053
TG (54:9) [M+NH4]+ 0.0420 0.0532 0.0646 0.0413 1.7702 2.0098 0.0295 0.6080 1.4747
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]+ 0.7327 1.2920 1.0980 0.6887 1.1463 0.9550 0.7086 1.0556 1.1916
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]+ 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]+ NA NA NA NA NA NA NA NA NA
TG (55:3) [M+NH4]+ 0.7507 1.2009 1.0298 0.8506 1.1487 0.9865 0.5796 0.9522 1.2241
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]+ NA NA NA NA NA NA NA NA NA
TG (56:10) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (56:10) [M+Na]+ 0.4028 0.4173 0.4597 0.4007 1.8192 2.2617 0.4296 0.8386 1.4192
TG (56:10) [M+NH4]+ 0.4442 0.4812 0.4723 0.4736 1.7322 2.1826 0.3513 0.8589 1.4393
TG (56:1) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (56:1) [M+Na]+ 0.3405 1.4960 1.1867 0.3077 1.3706 1.0817 0.4451 1.1271 1.4020
TG (56:1) [M+NH4]+ 0.3241 1.5014 1.1452 0.2963 1.4080 1.1180 0.4100 1.1172 1.3919
TG (56:2) [M+K]+ 0.3555 1.1871 0.9646 0.3116 1.6237 1.2853 0.4621 1.1570 1.3723
TG (56:2) [M+Na]+ 0.2426 1.1742 0.9302 0.2587 1.7455 1.3487 0.2943 1.1248 1.4838
TG (56:2) [M+NH4]+ 0.2237 1.1066 0.8635 0.2137 1.9157 1.4182 0.2671 1.0550 1.4716
TG (56:3) [M+K]+ 0.5698 1.0153 0.8617 0.5485 1.5154 1.2381 0.5386 1.0807 1.4131
TG (56:3) [M+Na]+ 0.3939 0.8968 0.7371 0.3851 1.8312 1.4114 0.3289 1.1047 1.5403
TG (56:3) [M+NH4]+ 0.2811 0.7963 0.6566 0.2839 2.0848 1.5603 0.2032 1.0296 1.6032
TG (56:4) [M+K]+ 0.9413 1.0882 1.0293 0.9253 1.0333 0.9263 0.7301 1.0222 1.1563
TG (56:4) [M+Na]+ 0.5805 0.9413 0.8552 0.5718 1.6238 1.2536 0.4058 1.0075 1.3652
TG (56:4) [M+NH4]+ 0.3556 0.6883 0.6273 0.3600 2.0326 1.5323 0.2411 1.0969 1.6294
TG (56:5) A [M+K]+ 0.8860 1.0271 1.0100 0.8930 1.0643 0.9946 0.7645 1.0519 1.2290
TG (56:5) A [M+Na]+ 0.9376 1.2810 1.1090 1.1335 0.9443 0.8833 0.3733 0.8867 0.7258
TG (56:5) A [M+NH4]+ 0.4330 0.6989 0.6842 0.4427 1.9170 1.4997 0.2501 0.9533 1.6971
TG (56:5) B [M+K]+ 0.7447 0.8247 0.7356 0.7236 1.4298 1.2837 0.2933 1.0299 1.5250
TG (56:5) B [M+Na]+ 0.7429 0.9511 0.9057 0.7042 1.3486 1.1922 0.4806 0.9287 1.4722
TG (56:5) B [M+NH4]+ 0.5772 0.8329 0.6673 0.5879 1.6888 1.3496 0.3907 0.9035 1.7342
TG (56:5) C [M+K]+ 0.9260 1.1010 1.0816 0.9174 1.0687 1.0478 0.6262 0.9207 0.9018
TG (56:5) C [M+Na]+ 0.8647 1.1168 1.1114 0.8824 1.1003 1.0155 0.6124 0.9017 1.0429
TG (56:5) C [M+NH4]+ 0.7797 1.2394 1.1773 0.8062 1.1124 0.9760 0.4784 0.8591 1.1548
TG (56:6) [M+K]+ 0.7197 1.1461 1.0491 0.7144 1.1021 1.1069 0.6803 1.1216 1.2200
TG (56:6) [M+Na]+ 0.8768 1.1421 1.0881 0.9013 1.0533 0.9788 0.5621 0.8631 1.2254
TG (56:6) [M+NH4]+ 0.8123 1.1994 1.1572 0.8258 1.0805 1.0399 0.4923 0.7649 1.2351
TG (56:7) A [M+K]+ 0.8369 0.9733 1.0085 0.9373 1.1071 1.1323 0.6688 0.8790 1.2218
TG (56:7) A [M+Na]+ 0.7901 1.0594 1.0600 0.8360 1.1315 1.1624 0.5568 0.8131 1.2641
TG (56:7) A [M+NH4]+ 0.6619 1.2125 1.1512 0.6611 1.1827 1.2272 0.3815 0.7245 1.3297
TG (56:7) B [M+K]+ 0.9871 1.0665 0.9916 1.0545 0.9977 0.8515 0.8645 1.0284 1.1059
TG (56:7) B [M+Na]+ 0.8479 1.1277 1.0500 0.9045 1.0697 0.9333 0.5879 0.9812 1.2630
TG (56:7) B [M+NH4]+ 0.8111 1.1465 1.0348 0.8535 1.1734 1.0249 0.4168 0.8445 1.2510
TG (56:8) A [M+K]+ 0.7425 1.0239 1.0021 0.8822 1.1845 1.2186 0.5730 0.8144 1.1990
TG (56:8) A [M+Na]+ 0.7110 1.0866 1.0823 0.7884 1.1331 1.2482 0.5318 0.7819 1.2874
TG (56:8) A [M+NH4]+ 0.6372 1.1652 1.0998 0.6682 1.1804 1.3674 0.3956 0.7097 1.2768
TG (56:8) B [M+K]+ 0.9263 1.1133 1.0890 0.9891 0.9561 0.9992 0.6431 0.9472 1.0157
TG (56:8) B [M+Na]+ 0.7985 1.1277 0.9927 0.8463 1.1199 1.1032 0.5024 0.8991 1.2606
TG (56:8) B [M+NH4]+ 0.7067 1.0601 0.9937 0.7451 1.2889 1.2270 0.3957 0.7989 1.3273
TG (56:9) [M+K]+ 0.6107 0.6980 0.6993 0.6493 1.4586 1.8678 0.4479 0.7755 1.2848
TG (56:9) [M+Na]+ 0.5429 0.7025 0.6697 0.5899 1.5358 1.9415 0.4138 0.7224 1.3556
TG (56:9) [M+NH4]+ 0.5211 0.6669 0.6758 0.5093 1.5934 2.0146 0.4222 0.6771 1.4143
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]+ 0.4990 1.3988 1.3270 0.5688 1.1681 0.9690 0.1965 1.1486 1.1350
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]+ 0.4777 1.4202 1.2066 0.4711 1.2794 1.0047 0.5563 1.0874 1.2872
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]+ NA NA NA NA NA NA NA NA NA
TG (58:10) [M+K]+ 0.8758 1.0712 1.0849 0.9911 1.0735 1.0136 1.0281 0.8192 1.0295
TG (58:10) [M+Na]+ 0.7904 1.1559 1.0642 0.8397 1.1437 1.0639 0.8350 0.8027 1.2036
TG (58:10) [M+NH4]+ 0.7208 1.0773 1.0244 0.8314 1.2212 1.1981 0.6330 0.8089 1.1636
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]+ 0.2822 1.0941 0.8462 0.2383 1.8212 1.4216 0.4239 1.0175 1.5856
TG (58:2) [M+K]+ 0.3794 1.0989 0.9025 0.3243 1.5663 1.2979 0.5796 1.1803 1.4401
TG (58:2) [M+Na]+ 0.2197 1.0992 0.8380 0.2133 1.8199 1.4097 0.5219 1.1047 1.6503
TG (58:2) [M+NH4]+ 0.2128 1.0692 0.8058 0.1835 1.9114 1.4478 0.4068 1.0339 1.6983
TG (58:3) [M+K]+ 0.2958 0.8932 0.7357 0.3052 1.8247 1.5663 0.4070 1.1486 1.3747
TG (58:3) [M+Na]+ 0.1684 0.8655 0.6655 0.1596 2.0990 1.5957 0.2449 1.1051 1.7153
TG (58:3) [M+NH4]+ 0.1350 0.7614 0.5947 0.1210 2.3077 1.6946 0.1656 1.0051 1.7060
TG (58:4) [M+K]+ 0.5114 1.2296 0.9871 0.4902 1.4888 1.1635 0.3641 1.0435 1.2920
TG (58:4) [M+Na]+ 0.1005 0.1587 0.1564 0.1302 2.6214 1.9422 0.1340 1.3311 1.9476
TG (58:4) [M+NH4]+ 0.0798 0.1213 0.1164 0.0858 2.8530 2.0213 0.0755 1.1230 1.9654
TG (58:5) [M+K]+ 0.7677 1.3376 1.2059 0.7681 1.0370 0.8580 0.7834 1.0912 1.0251
TG (58:5) [M+Na]+ 0.3215 0.4139 0.3777 0.3252 2.1149 1.7453 0.3369 1.1622 2.0551
TG (58:5) [M+NH4]+ 0.1549 0.2304 0.2235 0.1770 2.5608 1.9078 0.1400 1.1615 2.0095
TG (58:6) [M+K]+ 0.6329 0.7449 0.7033 0.6164 1.6633 1.4411 0.4901 0.9985 1.3564
TG (58:6) [M+Na]+ 0.5644 0.7361 0.6994 0.6042 1.7156 1.3693 0.4115 1.0010 1.6005
TG (58:6) [M+NH4]+ 0.4845 0.6463 0.5165 0.5103 1.9429 1.5283 0.3515 0.9669 1.7252
TG (58:8) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (58:8) [M+Na]+ 0.8664 1.2004 1.1400 0.9558 1.0164 0.9048 0.5279 0.9484 1.0288
TG (58:8) [M+NH4]+ 0.7758 1.1983 1.1341 0.8441 1.1691 1.0299 0.4702 0.8238 1.0591
TG (58:9) [M+K]+ 0.8770 1.2216 1.1681 0.9451 1.0038 0.8975 0.7103 0.9591 0.9238
TG (58:9) [M+Na]+ 0.8161 1.2017 1.1360 0.9042 1.0493 0.9835 0.6067 0.8979 1.0627
TG (58:9) [M+NH4]+ 0.6723 1.0374 1.0236 0.7263 1.3332 1.2444 0.4475 0.8174 1.2495
TG (59:2) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (59:2) [M+Na]+ 0.5848 1.9136 1.5048 0.5846 0.8346 0.8606 0.5622 0.8709 0.8178
TG (59:2) [M+NH4]+ 0.4947 1.5987 1.3280 0.5247 1.1238 0.8689 0.5755 1.1235 1.1184
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]+ 0.2802 1.4729 1.2536 0.3390 1.4183 1.1111 0.4239 1.1034 1.2360
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]+ NA NA NA NA NA NA NA NA NA
TG (60:2) [M+K]+ 0.5022 1.1842 1.0412 0.4814 1.3774 1.1263 0.8591 0.9235 1.4674
TG (60:2) [M+Na]+ 0.3919 1.3446 1.0397 0.3261 1.4831 1.1272 0.5843 1.1136 1.5002
TG (60:2) [M+NH4]+ NA NA NA NA NA NA NA NA NA
TG (60:3) [M+K]+ 0.3052 0.9674 0.8548 0.2779 1.7251 1.3453 0.2962 1.0619 1.4571
TG (60:3) [M+Na]+ 0.1841 0.8388 0.6737 0.1658 2.0979 1.6025 0.2301 1.0987 1.7071
TG (60:3) [M+NH4]+ 0.1403 0.7669 0.6197 0.1292 2.2812 1.6555 0.1622 0.9995 1.7693
TG (60:4) [M+K]+ 0.2228 0.4134 0.3286 0.2358 1.9861 1.6776 0.2950 1.0471 1.5478
TG (60:4) [M+Na]+ 0.1366 0.4317 0.3611 0.1231 2.4172 1.8451 0.1134 1.1362 1.8923
TG (60:4) [M+NH4]+ 0.0744 0.1510 0.1518 0.0736 2.6949 2.0069 0.0977 1.0949 1.9173
TG (60:5) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (60:5) [M+Na]+ 0.1127 0.2078 0.1603 0.1913 1.5617 1.3966 NA 0.9054 1.2514
TG (60:5) [M+NH4]+ 0.1524 0.2351 0.2473 0.1574 2.5657 2.0259 0.1561 1.0054 1.8745
TG (60:6) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (60:6) [M+Na]+ 0.2054 0.2373 0.2190 0.2218 2.2353 1.8043 0.2226 1.0991 1.7433
TG (60:6) [M+NH4]+ 0.1923 0.2173 0.1809 0.1959 2.3986 1.9381 0.1594 1.0808 2.0119
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]+ NA NA NA NA NA NA NA NA NA
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]+ 0.2688 0.6725 0.5757 0.2537 2.1976 1.6054 0.2557 1.0997 1.6405
TG (62:4) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (62:4) [M+Na]+ 0.2381 0.2520 0.2323 0.2177 1.9812 1.4633 0.1856 1.0072 1.7231
TG (62:4) [M+NH4]+ 0.2454 0.3634 0.3601 0.2316 2.4207 1.8242 0.1634 1.0429 1.8401
TG (64:2) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (64:2) [M+Na]+ 1.0370 1.0086 1.0179 1.0508 1.0314 0.9645 0.9798 0.8717 0.9666
TG (64:2) [M+NH4]+ 0.6579 0.9202 0.8818 0.6004 1.4779 1.2657 0.5251 1.0756 1.3047
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]+ NA NA NA NA NA NA NA NA NA
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]+ 0.3651 0.4438 0.4449 0.3724 2.1282 1.7182 0.3982 1.0683 1.5358
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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