Data for Validating Quantitative Untargeted Lipidomics Across Nine Liquid Chromatography−High-Resolution Mass Spectrometry Platforms (part VII) (Study ST000989)

(Analysis AN001615)

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 1.1020 0.9756 1.0439 0.9335 0.6709 1.1257 1.6581 1.3120 0.4355
1_CE (22:1) [2M+NH4]+ ISTD 0.8812 1.0541 0.9609 1.0128 1.0089 1.0890 1.0537 1.1399 0.6262
1_CE (22:1) [Chol-head -H2O+H]+ ISTD 1.0398 1.0336 1.0383 1.0332 0.9872 0.9613 0.9373 0.9600 0.9278
1_CE (22:1) [M+Chol-head -H2O+H]+ ISTD 1.0431 1.0077 1.0392 1.0457 1.0201 0.9768 0.8742 1.0209 0.7155
1_CE (22:1) [M+Na]+ ISTD 0.9768 1.0276 1.0164 1.0063 1.0076 1.0175 1.0248 1.0557 0.7538
1_CE (22:1) [M+NH4]+ ISTD 0.9894 1.0278 1.0213 1.0133 0.9923 1.0504 0.9458 1.0373 0.7305
1_Cer (d18:1/17:0) [M+H-H2O]+ ISTD 1.0214 1.0445 1.0141 1.0159 0.9867 1.0163 1.0110 1.0154 0.7595
1_Cer (d18:1/17:0) [M+H]+ ISTD 1.0129 1.0384 1.0102 1.0160 0.9941 1.0199 0.9730 1.0278 0.7553
1_Cer (d18:1/17:0) [M+Na]+ ISTD 1.0097 1.0437 1.0209 1.0103 0.9717 0.9963 1.0150 1.0291 0.8274
1_Cholesterol d7 [M-H2O+H]+ ISTD 1.0089 1.0511 0.9384 1.0429 1.0142 0.9911 1.1527 1.0344 0.7720
1_CUDA [M+H]+ ISTD 1.0363 0.9960 0.9921 1.0297 1.0089 1.0175 0.8853 0.9829 0.9016
1_DG (12:0/12:0/0:0) [M+K]+ ISTD 0.9748 0.9636 1.0726 1.0151 1.0191 1.0473 0.9524 1.0188 0.7695
1_DG (12:0/12:0/0:0) [M+Na]+ ISTD 0.9714 0.9601 1.0792 1.0193 1.0247 1.0281 0.9358 1.0226 0.7873
1_DG (12:0/12:0/0:0) [M+NH4]+ ISTD 1.0006 0.9858 1.0840 1.0028 0.9935 1.0431 0.8955 1.0387 0.7150
1_DG (18:1/2:0/0:0) [M+K]+ ISTD 1.0055 1.0358 1.0232 0.9987 0.9954 1.0086 0.8103 1.0453 0.8177
1_DG (18:1/2:0/0:0) [M+Na]+ ISTD 1.0009 1.0218 1.0090 0.9923 0.9906 1.0033 0.8155 1.0841 0.8292
1_DG (18:1/2:0/0:0) [M+NH4]+ ISTD 0.9834 1.0475 1.0203 0.9800 0.9912 1.0166 0.8152 1.0926 0.7669
1_LPC (17:0) [M+H]+ ISTD 1.0214 1.0195 1.0066 1.0217 0.9901 1.0352 0.9560 1.0455 0.7102
1_LPE (17:1) [M+H]+ ISTD 1.0324 1.0082 1.0221 0.9879 1.0175 1.0210 1.0196 1.0261 0.7508
1_MG (17:0/0:0/0:0) [M+H]+ ISTD 1.0111 1.0060 1.0362 1.0052 1.0052 1.0427 0.9752 1.0097 0.7617
1_MG (17:0/0:0/0:0) [M+Na]+ ISTD 0.9873 0.9678 1.0305 1.0553 1.0221 1.0301 1.0211 1.0076 0.7684
1_PC (12:0/13:0) [M+H]+ ISTD 1.0250 1.0085 1.0207 1.0035 1.0046 1.0353 0.9812 1.0252 0.7435
1_PE (17:0/17:0) [M+H]+ ISTD 1.0126 1.0044 1.0181 1.0245 1.0267 1.0115 0.8901 1.0262 0.7645
1_SM (d18:1/17:0) [M+H]+ ISTD 0.9903 1.0550 1.0133 0.9955 1.0231 1.0412 0.8344 1.0574 0.6688
1_Sphingosine (d17:1) [M+H]+ ISTD 0.9887 1.0152 1.0183 1.0115 1.0095 1.0139 0.9697 1.0545 0.7624
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]+ 1.1755 1.0456 1.0340 0.9906 0.9885 1.0544 0.9892 0.9649 0.5001
1_TG d5 (17:0/17:1/17:0) ISTD [M+NH4]+ 1.0302 1.0125 1.0135 0.9948 1.0016 1.0308 0.8759 1.0164 0.8274
Acylcarnitine (C10:0) [M+H]+ NA NA NA NA NA NA NA NA NA
Acylcarnitine (C10:1) [M+H]+ NA NA NA NA NA NA NA NA NA
Acylcarnitine (C12:0) [M+H]+ NA NA NA NA NA NA NA NA NA
Acylcarnitine (C12:1) [M+H]+ NA NA NA NA NA NA NA NA NA
Acylcarnitine (C14:1) [M+H]+ NA NA NA NA NA NA NA NA NA
Acylcarnitine (C14:2) [M+H]+ NA NA NA NA NA NA NA NA NA
Acylcarnitine (C18:0) [M+H]+ NA NA NA NA NA NA NA NA NA
Acylcarnitine (C18:1) [M+H]+ 1.1778 0.9692 1.1514 1.1889 0.7838 0.9853 1.0916 0.9878 0.4963
Acylcarnitine (C18:2) [M+H]+ 0.9839 0.9282 1.2066 1.0779 0.9085 1.1772 1.3217 0.9149 0.5017
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]+ 1.0969 0.9423 1.0012 1.0299 1.0909 1.0746 1.0373 0.9142 0.6757
CE (16:0) [2M+NH4]+ 1.0076 1.0754 1.1302 1.0797 0.8335 0.9511 0.8584 1.0870 0.7148
CE (16:0) [Chol-head -H2O+H]+ 1.0168 1.0835 1.1712 1.0732 1.0038 0.8438 0.6226 0.9912 0.7646
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]+ 0.9377 1.0582 1.0384 1.0074 0.8508 1.0391 0.8792 1.1750 0.7910
CE (16:1) [2M+Na]+ 1.1264 0.9752 0.9537 1.0081 0.9754 1.0768 0.8017 1.1234 0.5324
CE (16:1) [2M+NH4]+ 1.0504 1.0867 1.0189 0.9890 1.0546 0.9958 0.7140 1.0420 0.5905
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]+ NA NA NA NA NA NA NA NA NA
CE (18:0) [2M+Na]+ 0.9460 1.3019 0.9607 1.0718 1.2839 0.9557 0.7885 0.7983 0.4543
CE (18:0) [2M+NH4]+ NA NA NA NA NA NA NA NA NA
CE (18:0) [Chol-head -H2O+H]+ NA NA NA NA NA NA NA NA NA
CE (18:0) [M+Chol-head -H2O+H]+ NA NA NA NA NA NA NA NA NA
CE (18:0) [M+Na]+ NA NA NA NA NA NA NA NA NA
CE (18:0) [M+NH4]+ NA NA NA NA NA NA NA NA NA
CE (18:1) [2M+Na]+ 1.0554 1.0328 0.9975 1.0873 1.0276 0.9868 1.1112 1.0000 0.5716
CE (18:1) [2M+NH4]+ 1.1643 1.0027 1.0969 1.0198 0.9860 1.0435 0.8270 0.9794 0.4631
CE (18:1) [Chol-head -H2O+H]+ NA NA NA NA NA NA NA NA NA
CE (18:1) [M+Chol-head -H2O+H]+ 0.9359 1.0455 1.0668 1.0296 1.1146 1.0392 0.6546 0.9821 0.6448
CE (18:1) [M+Na]+ 0.9111 1.0143 1.0732 1.0946 0.9734 1.0093 0.8416 0.9818 0.9220
CE (18:1) [M+NH4]+ 1.0459 1.0256 1.0142 1.0873 0.9587 1.0195 0.7898 1.0607 0.6079
CE (18:2) [2M+Na]+ 1.1593 1.0111 0.8960 1.0905 1.0465 1.0278 1.0608 1.0073 0.4698
CE (18:2) [2M+NH4]+ 1.0675 1.1212 0.8951 1.0830 0.9415 0.9908 0.8030 1.1851 0.4320
CE (18:2) [Chol-head -H2O+H]+ 0.9044 0.9730 1.0780 1.0623 1.0250 1.0644 0.7487 1.0604 0.6921
CE (18:2) [M+Chol-head -H2O+H]+ 1.0537 1.0167 1.0716 1.0660 0.9839 1.0422 0.8520 1.0130 0.5280
CE (18:2) [M+Na]+ 1.0941 1.0657 1.0113 1.0223 0.9967 1.0231 1.1184 0.9660 0.6078
CE (18:2) [M+NH4]+ 1.1154 1.0348 1.0085 1.0404 1.0081 1.0240 0.6382 1.0136 0.6001
CE (18:3) [2M+Na]+ 0.9791 0.9331 1.1010 0.8420 1.1122 1.2936 0.5968 1.0688 0.3971
CE (18:3) [2M+NH4]+ 0.9622 1.0612 0.9591 1.0690 1.0776 1.2084 0.7198 0.9753 0.3953
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]+ 0.9996 1.0151 0.9090 1.1865 0.9768 1.1198 0.8468 0.9821 0.6168
CE (20:2) [2M+Na]+ NA NA NA NA NA NA NA NA NA
CE (20:2) [2M+NH4]+ NA NA NA NA NA NA NA NA NA
CE (20:2) [Chol-head -H2O+H]+ NA NA NA NA NA NA NA NA NA
CE (20:2) [M+Chol-head -H2O+H]+ NA NA NA NA NA NA NA NA NA
CE (20:2) [M+Na]+ NA NA NA NA NA NA NA NA NA
CE (20:2) [M+NH4]+ NA NA NA NA NA NA NA NA NA
CE (20:3) [2M+Na]+ NA NA NA NA NA NA NA NA NA
CE (20:3) [2M+NH4]+ NA NA NA NA NA NA NA NA NA
CE (20:3) [Chol-head -H2O+H]+ NA NA NA NA NA NA NA NA NA
CE (20:3) [M+Chol-head -H2O+H]+ NA NA NA NA NA NA NA NA NA
CE (20:3) [M+Na]+ NA NA NA NA NA NA NA NA NA
CE (20:3) [M+NH4]+ 1.0640 0.9556 0.9947 1.1221 1.0008 1.0143 0.9288 0.9462 0.8146
CE (20:4) [2M+Na]+ 0.7298 1.2956 1.0861 1.0784 0.8022 0.9382 1.6900 1.2406 0.3883
CE (20:4) [2M+NH4]+ 0.9970 1.1053 1.1875 1.0935 0.9943 0.9557 0.5931 1.0298 0.3783
CE (20:4) [Chol-head -H2O+H]+ 1.0438 0.9343 0.9895 0.9604 1.0608 1.0605 0.8626 1.0671 0.7719
CE (20:4) [M+Chol-head -H2O+H]+ NA NA NA NA NA NA NA NA NA
CE (20:4) [M+Na]+ 1.1734 1.0135 1.0324 1.2150 0.9343 0.8726 1.1196 0.9498 0.5928
CE (20:4) [M+NH4]+ 1.1384 1.0840 1.0303 1.0829 0.9527 0.9474 0.8714 0.9933 0.5862
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]+ 0.7308 0.6696 0.8515 0.7214 1.8900 0.7519 NA 1.1803 0.4844
CE (20:5) [M+Chol-head -H2O+H]+ NA NA NA NA NA NA NA NA NA
CE (20:5) [M+Na]+ 1.1404 0.9378 0.9241 1.2271 1.0161 1.0053 0.9086 1.0115 0.4496
CE (20:5) [M+NH4]+ 1.0349 0.9855 0.9904 1.1047 1.0258 1.0366 0.5371 1.1083 0.5008
CE (22:2) [2M+Na]+ NA NA NA NA NA NA NA NA NA
CE (22:2) [2M+NH4]+ NA NA NA NA NA NA NA NA NA
CE (22:2) [Chol-head -H2O+H]+ NA NA NA NA NA NA NA NA NA
CE (22:2) [M+Chol-head -H2O+H]+ NA NA NA NA NA NA NA NA NA
CE (22:2) [M+Na]+ NA NA NA NA NA NA NA NA NA
CE (22:2) [M+NH4]+ NA NA NA NA NA NA NA NA NA
CE (22:6) [2M+Na]+ NA NA NA NA NA NA NA NA NA
CE (22:6) [2M+NH4]+ NA NA NA NA NA NA NA NA NA
CE (22:6) [Chol-head -H2O+H]+ NA NA NA NA NA NA NA NA NA
CE (22:6) [M+Chol-head -H2O+H]+ NA NA NA NA NA NA NA NA NA
CE (22:6) [M+Na]+ 1.2592 0.9112 1.1137 1.2814 0.9418 0.9999 0.6526 0.8442 0.4035
CE (22:6) [M+NH4]+ 1.0396 0.9844 1.0877 1.0063 1.0254 1.0290 0.5090 1.0764 0.6146
Cer (d34:1) [M+H]+ 0.9126 1.0944 1.0966 0.9664 1.0368 0.9828 0.5764 1.1056 0.7080
Cer (d34:1) [M+H-H2O]+ 0.9717 1.0659 1.0658 1.0320 0.9599 1.1044 0.8169 0.9808 0.6808
Cer (d34:1) [M+Na]+ 0.9333 1.0274 1.0598 0.9798 1.0298 0.9600 0.8673 1.1327 0.7606
Cer (d36:1) [M+H]+ NA NA NA NA NA NA NA NA NA
Cer (d36:1) [M+H-H2O]+ NA NA NA NA NA NA NA NA NA
Cer (d36:1) [M+Na]+ 1.0644 0.9949 0.9641 1.0751 1.0492 0.9704 0.3185 1.1564 0.5896
Cer (d38:1) [M+H]+ NA NA NA NA NA NA NA NA NA
Cer (d38:1) [M+H-H2O]+ NA NA NA NA NA NA NA NA NA
Cer (d38:1) [M+Na]+ 1.0456 1.1322 1.0832 0.9493 0.9488 0.9385 0.2634 1.1022 0.8235
Cer (d40:1) [M+H]+ 0.9859 1.1212 1.1237 0.9454 0.9514 0.9796 0.5529 1.1066 0.6991
Cer (d40:1) [M+H-H2O]+ 0.9771 1.1041 1.0816 0.9631 1.0110 0.9829 0.5773 1.0846 0.7013
Cer (d40:1) [M+Na]+ 0.9944 1.0598 1.1007 0.9881 0.9797 0.9838 0.5604 1.0793 0.7459
Cer (d41:1) [M+H]+ 0.9355 1.1121 1.0740 0.9609 1.0111 1.0038 0.4971 1.1276 0.6675
Cer (d41:1) [M+H-H2O]+ 0.9475 1.1142 1.1036 0.9582 1.0234 1.0058 0.4909 1.0838 0.6574
Cer (d41:1) [M+Na]+ 0.9579 1.0804 1.1215 0.9560 1.0186 1.0240 0.5648 1.0473 0.7053
Cer (d42:1) [M+H]+ 0.9862 1.1065 1.0733 0.9557 0.9990 0.9993 0.6842 1.0745 0.6926
Cer (d42:1) [M+H-H2O]+ 0.9957 1.0957 1.0553 0.9660 1.0103 1.0086 0.6872 1.0604 0.6948
Cer (d42:1) [M+Na]+ 1.0080 1.0793 1.0464 0.9781 0.9950 1.0014 0.7279 1.0507 0.7538
Cer (d42:2) A [M+H]+ 0.9480 1.0315 0.9841 0.9357 1.0320 1.1118 0.5834 1.1763 0.6173
Cer (d42:2) A [M+H-H2O]+ 0.8235 1.0279 1.0372 0.9455 1.0513 1.2325 0.5326 1.2028 0.3920
Cer (d42:2) A [M+Na]+ 0.9436 1.0147 0.9694 0.9516 1.0202 1.1422 0.6346 1.1414 0.6783
Cer (d42:2) B [M+H]+ 1.0163 1.1196 1.1047 0.9359 0.9853 0.8984 0.5187 1.1103 0.8067
Cer (d42:2) B [M+H-H2O]+ NA NA NA NA NA NA NA NA NA
Cer (d42:2) B [M+Na]+ 0.9608 1.0588 1.0518 0.9804 1.0180 0.9966 0.5555 1.0669 0.8476
Cholesterol [M-H2O+H]+ 0.9044 1.0234 1.1068 1.0660 1.0952 1.1697 0.5960 0.8863 0.5853
DG (32:0) [M+K]+ NA NA NA NA NA NA NA NA NA
DG (32:0) [M+Na]+ 0.7779 0.8505 1.4625 0.7327 1.0250 0.9643 4.2940 1.1465 0.1129
DG (32:0) [M+NH4]+ NA NA NA NA NA NA NA NA NA
DG (32:1) [M+K]+ 0.4724 2.8864 0.9353 0.5333 0.8035 1.1723 0.3231 0.6015 0.4592
DG (32:1) [M+Na]+ 0.7781 1.1282 1.0485 0.9273 0.9729 0.9172 1.0580 1.2095 0.9927
DG (32:1) [M+NH4]+ 0.8153 0.8590 1.1735 0.7106 1.1703 1.1278 0.8868 1.1952 0.8415
DG (34:0) [M+K]+ 0.6645 0.7954 1.5248 0.9582 1.2041 1.0014 1.9919 1.1057 0.1258
DG (34:0) [M+Na]+ 0.6518 0.8344 1.6275 0.8599 1.3055 0.8468 2.1289 1.0477 0.0170
DG (34:0) [M+NH4]+ 0.4597 0.5937 1.8500 0.8784 1.1673 0.9447 2.6206 1.1894 0.0707
DG (34:1) [M+K]+ 0.7265 1.1570 1.1862 0.8475 0.9318 0.9628 1.0498 1.1879 0.9807
DG (34:1) [M+Na]+ 0.7222 1.1587 1.2052 0.7865 0.9446 1.0188 1.0363 1.1754 0.9640
DG (34:1) [M+NH4]+ 0.6757 1.1898 1.2168 0.7654 0.9923 0.9722 0.9509 1.2297 0.9160
DG (34:2) [M+K]+ 0.5728 1.1847 1.0919 0.6718 1.0434 1.2218 0.8850 1.2248 0.9575
DG (34:2) [M+Na]+ 0.6062 1.1412 1.0898 0.6706 1.0698 1.1829 0.8621 1.2508 0.9591
DG (34:2) [M+NH4]+ 0.5931 1.1535 1.1059 0.6211 1.1205 1.1970 0.8280 1.2375 0.9354
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]+ 0.9145 1.0484 1.0324 0.9534 0.9424 1.0346 0.7267 1.1803 0.8299
DG (36:0) [M+K]+ 0.7488 0.9245 1.5806 0.9324 1.0956 0.8900 2.3113 1.0639 0.1323
DG (36:0) [M+Na]+ 0.6487 0.9341 1.5671 0.8083 1.1943 0.8891 3.5808 1.0523 0.0146
DG (36:0) [M+NH4]+ 0.5344 0.9273 1.6168 0.8579 1.1420 0.9655 2.6287 1.1642 0.0950
DG (36:1) [M+K]+ 0.1418 1.7427 1.2172 0.1585 1.2944 1.0311 0.1145 1.6185 0.7750
DG (36:1) [M+Na]+ 0.6807 1.1664 1.1161 0.8037 1.1128 1.0347 0.7739 1.2325 0.7141
DG (36:1) [M+NH4]+ 0.6258 1.2686 1.0184 0.8617 1.1362 1.0664 0.6097 1.2374 0.6040
DG (36:2) [M+K]+ 0.8832 1.2370 1.2448 0.8717 0.9069 0.9534 0.5487 1.1147 0.7313
DG (36:2) [M+Na]+ 0.9123 1.2391 1.2411 0.8451 0.9380 0.9206 0.5160 1.1189 0.7386
DG (36:2) [M+NH4]+ 0.9093 1.2528 1.2054 0.8786 0.9416 0.9107 0.4675 1.1315 0.7142
DG (36:3) [M+K]+ 0.7711 1.1423 1.1596 0.7978 1.0410 1.0887 0.5747 1.1255 0.8525
DG (36:3) [M+Na]+ 0.7551 1.1647 1.1916 0.7695 1.0348 1.0792 0.4471 1.1450 0.8655
DG (36:3) [M+NH4]+ 0.7341 1.1892 1.2093 0.7645 1.0328 1.0852 0.5043 1.1458 0.8064
DG (36:4) A [M+K]+ 0.6457 1.0858 1.1098 0.6750 1.1771 1.2712 0.4533 1.1233 0.9262
DG (36:4) A [M+Na]+ 0.6328 1.1209 1.1119 0.6994 1.1340 1.3186 0.5269 1.0538 0.9526
DG (36:4) A [M+NH4]+ 0.6028 1.1023 1.1135 0.6963 1.1545 1.3237 0.5250 1.1042 0.8817
DG (36:4) B [M+K]+ NA NA NA NA NA NA NA NA NA
DG (36:4) B [M+Na]+ 0.2604 0.2837 0.2866 0.2167 1.8313 2.6277 0.1589 1.1915 1.4637
DG (36:4) B [M+NH4]+ 0.1457 0.1784 0.2062 0.1617 2.0798 3.1086 0.1198 0.7959 1.5025
DG (36:5) [M+K]+ NA NA NA NA NA NA NA NA NA
DG (36:5) [M+Na]+ 0.4873 0.6344 0.6651 0.5129 1.6144 2.0088 0.5593 1.0002 1.0585
DG (36:5) [M+NH4]+ 0.3919 0.3972 0.4281 0.3569 1.7393 2.4697 0.3617 1.1232 1.0289
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]+ 0.3873 0.3567 0.3987 0.3495 1.8661 2.2299 0.3724 1.1505 1.1942
DG (38:5) [M+K]+ NA NA NA NA NA NA NA NA NA
DG (38:5) [M+Na]+ 0.7437 1.1157 1.2707 0.8352 0.9541 1.1430 0.6381 1.0668 0.8434
DG (38:5) [M+NH4]+ 0.7188 1.1515 1.3127 0.8184 0.9062 1.1370 0.6093 1.1076 0.8083
DG (38:6) [M+K]+ NA NA NA NA NA NA NA NA NA
DG (38:6) [M+Na]+ 0.6647 1.0517 1.1392 0.7606 1.0621 1.3341 0.7429 1.0336 0.9437
DG (38:6) [M+NH4]+ 0.6423 1.0880 1.1839 0.7654 1.0440 1.3642 0.6068 1.0590 0.7721
Hex2Cer (d34:1) [M+H]+ 0.9922 1.0310 1.0717 1.0022 1.0193 1.0077 0.7526 1.0878 0.6183
Hex2Cer (d34:1) [M-H2O+H]+ NA NA NA NA NA NA NA NA NA
Hex2Cer (d34:1) [M+Na]+ 0.9639 1.0909 0.9878 0.9104 1.0802 0.9984 0.8731 1.1722 0.5809
HexCer (d40:1) [M+H]+ 0.9786 1.0817 1.0058 1.0051 1.0330 1.0475 0.6753 1.0714 0.6126
HexCer (d40:1) [M-H2O+H]+ NA NA NA NA NA NA NA NA NA
HexCer (d40:1) [M+Na]+ 1.0026 1.0426 1.0592 1.0096 1.0240 1.0007 0.7645 1.0430 0.6875
HexCer (d42:1) [M+H]+ 0.9594 1.0542 1.0317 1.0378 1.0123 1.0400 0.6893 1.0799 0.6205
HexCer (d42:1) [M-H2O+H]+ NA NA NA NA NA NA NA NA NA
HexCer (d42:1) [M+Na]+ 0.9819 0.9778 1.0239 1.0772 1.0269 1.0767 0.5996 1.0219 0.7051
HexCer (d42:2) [M+H]+ 0.9985 1.0811 1.0978 0.9452 1.0183 1.0442 0.7048 1.1797 0.3040
HexCer (d42:2) [M-H2O+H]+ NA NA NA NA NA NA NA NA NA
HexCer (d42:2) [M+Na]+ 0.9725 1.0427 1.0588 0.9919 1.0031 1.0097 0.7806 1.1033 0.6699
LPC (14:0) [M+H]+ 0.9830 1.0330 1.0211 0.9925 1.0292 1.0340 0.8701 1.0448 0.7394
LPC (15:0) [M+H]+ 0.9864 1.0871 1.0241 1.0027 1.0746 0.9870 0.6983 1.0552 0.6270
LPC (16:0) [M+H]+ 1.0033 1.0240 0.9597 1.0248 1.0579 0.9764 1.1046 1.0735 0.6957
LPC (16:1) [M+H]+ 1.0569 1.0069 0.9420 1.0246 1.0351 0.9468 1.3011 1.1083 0.6345
LPC (18:0) [M+H]+ 1.0314 1.0180 0.9593 1.0465 1.0594 0.9689 1.0896 1.0643 0.6431
LPC (18:1) [M+H]+ 1.1035 1.0165 0.9611 1.1041 1.0378 0.9656 0.8715 1.0252 0.5819
LPC (18:2) [M+H]+ 0.9146 1.0403 1.0160 0.9827 1.1258 1.0753 0.6869 1.0783 0.5673
LPC (18:3) [M+H]+ 0.6054 0.5840 0.4119 0.5600 1.4632 2.4551 0.6482 1.0316 0.5779
LPC (20:3) [M+H]+ 1.0828 1.0160 0.9179 1.1042 1.0053 0.9842 0.8034 1.0694 0.6601
LPC (20:4) [M+H]+ 1.1040 1.0111 0.9114 1.1207 1.0298 0.9344 0.8656 1.0744 0.6298
LPC (20:5) [M+H]+ 1.0311 0.8800 0.7595 1.1944 1.1590 0.9430 0.7578 1.2123 0.5910
LPC (22:5) [M+H]+ 1.0986 0.9873 0.6547 1.3140 1.0337 1.0636 0.8740 1.1920 0.2101
LPE (18:0) [M+H]+ 1.0037 0.9949 0.9785 0.9925 1.1497 1.0227 1.0388 1.1576 0.3088
LPE (18:2) [M+H]+ 0.5775 1.1976 1.1218 0.6689 1.2660 1.1520 0.6948 1.2129 0.6168
LPE (20:4) [M+H]+ 0.8802 1.1422 1.0566 0.9039 1.0999 0.9074 0.7232 1.2184 0.6181
LPE (22:3) [M+H]+ 1.0019 1.0011 1.0031 1.0573 0.9818 1.0592 1.0049 1.0616 0.6285
LPE (22:6) [M+H]+ 1.0331 1.0326 0.8677 1.1004 1.1458 0.9674 0.2069 1.2854 0.2450
PC (28:0) [M+H]+ 0.7331 1.0313 1.2620 0.7531 1.0537 1.2525 0.6441 1.0799 0.7401
PC (30:0) [M+H]+ 1.0284 1.0350 1.0569 1.0069 0.9939 1.0344 0.6421 1.0183 0.7471
PC (31:0) [M+H]+ 1.0652 1.0451 1.0424 0.9780 0.9495 1.0465 0.4647 1.0922 0.7007
PC (31:1) [M+H]+ NA NA NA NA NA NA NA NA NA
PC (32:0) [M+H]+ 0.9782 1.0042 1.0645 0.9815 1.0232 1.0738 0.6874 1.0653 0.6774
PC (32:1) [M+H]+ 0.9619 0.9571 0.9973 0.9815 1.0097 1.0341 0.9193 1.1675 0.7505
PC (32:2) [M+H]+ 0.9092 1.0141 1.1130 0.9781 1.0160 1.1003 0.5442 1.0317 0.7833
PC (33:0) [M+H]+ 1.0173 1.0925 1.0542 1.0199 0.9964 0.9508 0.4844 1.0765 0.7233
PC (33:1) [M+H]+ 0.9995 1.0619 1.0478 1.0066 1.0373 1.0469 0.4734 1.0500 0.6249
PC (33:2) [M+H]+ 0.9829 1.0441 1.0953 0.9712 1.0192 1.0884 0.3894 1.0563 0.6357
PC (34:0) [M+H]+ 1.0363 0.9745 1.1229 0.9932 1.0436 1.1228 0.5167 1.0299 0.4577
PC (34:1) [M+H]+ 0.9999 1.0089 1.0300 0.9915 1.0209 1.0364 0.7666 1.0845 0.6904
PC (34:2) [M+H]+ 0.9194 1.0044 1.0510 0.9630 1.0227 1.1012 0.7370 1.0745 0.7666
PC (34:3) A [M+H]+ 0.8443 1.0113 1.0082 0.8843 1.0793 1.1430 0.9125 1.2709 0.4413
PC (34:3) B [M+H]+ 1.0119 1.0194 0.9781 0.9913 1.0690 0.9594 0.7487 1.0714 0.8489
PC (34:3) C [M+H]+ 0.3992 0.4655 0.5285 0.3924 1.4164 2.5134 0.0694 1.2533 1.0015
PC (34:4) [M+H]+ 0.9779 1.0781 1.0671 0.9577 0.9901 1.0495 0.5868 1.0471 0.7756
PC (35:1) [M+H]+ 1.0085 1.0645 1.1001 0.9515 1.0249 1.0200 0.4932 1.0703 0.6519
PC (35:2) A [M+H]+ 0.8829 1.1518 1.0246 1.0142 1.1549 1.0545 0.2450 1.0835 0.4241
PC (35:2) B [M+H]+ 1.0922 0.7170 0.7756 0.5430 1.0640 1.3898 0.3715 1.5557 0.7477
PC (35:3) [M+H]+ 0.9642 1.0728 1.1432 0.9515 0.9998 1.0833 0.5542 1.0381 0.6098
PC (35:4) [M+H]+ 0.9913 1.0522 1.0928 0.9609 1.0245 1.0803 0.4410 1.0487 0.6385
PC (36:1) [M+H]+ 0.9631 1.0520 1.0703 0.9451 1.0028 1.0689 0.7109 1.0847 0.6843
PC (36:2) [M+H]+ 0.9106 1.0522 1.0750 0.9333 1.0404 1.1016 0.6464 1.0740 0.6948
PC (36:3) A [M+H]+ 0.9455 1.0437 1.0891 0.9264 1.0491 1.0738 0.6779 1.0819 0.6431
PC (36:3) B [M+H]+ 0.9470 1.0459 1.0872 0.9783 0.9750 0.9934 0.7621 1.0950 0.8099
PC (36:4) A [M+H]+ 0.8646 1.0015 1.0438 1.0047 1.0875 1.1952 0.6143 1.0072 0.6472
PC (36:4) B [M+H]+ 0.7317 0.7711 0.9835 0.9027 1.2388 1.5467 0.9758 1.0431 0.4215
PC (36:4) C [M+H]+ 0.9716 1.0266 1.0270 0.9533 1.0006 1.0572 0.7352 1.1176 0.7341
PC (36:5) A [M+H]+ 0.7538 0.9246 1.1261 0.9842 1.0422 1.5553 0.5800 0.8730 0.5294
PC (36:5) B [M+H]+ NA NA NA NA NA NA NA NA NA
PC (36:5) C [M+H]+ 0.9638 0.9654 1.0983 0.9840 0.9943 1.0286 0.8564 1.1650 0.5935
PC (36:5) D [M+H]+ 0.9210 0.9386 0.9470 1.0246 1.0630 1.0990 0.5768 1.1901 0.6660
PC (36:6) [M+H]+ 0.9902 1.0517 1.1129 1.0002 0.9648 0.9611 0.2421 1.1670 0.6960
PC (37:2) [M+H]+ 0.9228 1.0685 1.1120 0.8984 1.0368 1.0856 0.5146 1.1099 0.6401
PC (37:4) [M+H]+ 1.0177 1.1207 1.1764 0.9176 1.0457 0.9781 0.0691 1.1323 0.4743
PC (37:5) [M+H]+ 1.0826 0.8826 1.4635 0.8639 0.8831 1.2405 0.4764 0.9382 0.4694
PC (37:6) [M+H]+ 0.9579 1.1396 1.1316 0.9894 1.0698 1.0611 0.1553 1.1224 0.2490
PC (38:1) [M+H]+ 0.9719 0.9412 1.1832 0.9552 1.0735 1.1219 0.5825 1.0104 0.5772
PC (38:2) [M+H]+ 0.8726 1.0203 1.0213 0.9098 1.0605 1.0927 0.9346 1.1633 0.6770
PC (38:3) [M+H]+ 0.9722 1.0430 1.0749 0.9430 1.0064 1.0275 0.7275 1.0600 0.8144
PC (38:4) A [M+H]+ 0.8604 1.0579 1.1021 0.9477 1.0828 0.9786 0.4454 1.1703 0.7140
PC (38:4) B [M+H]+ 1.0547 1.2221 1.2261 0.8121 0.8429 0.8199 1.1635 1.0910 0.8911
PC (38:4) C [M+H]+ 0.9748 1.0186 1.0581 0.9628 1.0151 1.0421 0.7544 1.0992 0.6986
PC (38:5) A [M+H]+ 0.9925 1.0354 1.0481 0.9831 1.0309 1.0536 0.6853 1.0660 0.6423
PC (38:5) B [M+H]+ 0.8754 0.9686 1.1628 1.0340 0.9532 0.9673 1.0861 1.1668 0.6769
PC (38:6) A [M+H]+ 1.0093 1.0235 0.9579 1.0664 1.0059 1.0366 0.6822 1.0645 0.7261
PC (38:6) B [M+H]+ 0.9996 1.0017 1.0011 1.0006 1.0255 1.0299 0.5716 1.1414 0.6754
PC (38:6) C [M+H]+ 0.8687 1.1928 1.1893 0.9228 1.0687 1.1279 0.3236 1.0032 0.4312
PC (38:7) [M+H]+ 0.8411 0.9331 1.1308 0.9792 1.1260 1.2735 0.5849 0.9235 0.6573
PC (39:4) [M+H]+ 1.0391 1.0125 1.1075 1.0062 0.9923 1.0289 0.5682 1.0941 0.5345
PC (40:4) [M+H]+ 0.9425 0.9930 1.0345 0.9683 1.0022 1.0408 0.9929 1.1042 0.7977
PC (40:5) A [M+H]+ 0.9145 0.9994 1.0064 1.0017 1.0401 1.0778 0.7715 1.1173 0.6949
PC (40:5) B [M+H]+ 0.9514 1.0850 1.0241 0.9971 0.9719 0.9923 0.9239 1.0761 0.8121
PC (40:6) A [M+H]+ 0.9300 1.0955 1.0105 0.9700 1.1138 1.1534 0.8209 0.9072 0.6736
PC (40:6) B [M+H]+ 0.9897 0.9983 1.0117 0.9805 1.0143 1.0549 0.5854 1.1429 0.6871
PC (40:7) A [M+H]+ 0.9471 1.0281 1.0854 0.8725 1.1074 1.2554 0.3279 0.9982 0.5668
PC (40:7) B [M+H]+ 1.0134 1.0519 1.1022 0.9798 1.0257 1.0787 0.5477 1.0369 0.5305
PC (40:8) [M+H]+ 1.1336 1.0910 0.9367 1.2430 0.9255 1.3224 0.3975 0.7629 0.3235
PC (42:10) [M+H]+ 0.9282 1.0909 0.9570 1.0127 1.1003 1.1704 0.6695 1.0016 0.5200
PC (o-32:0) [M+H]+ 0.9887 1.0447 1.0410 1.0038 1.0365 1.0295 0.7190 1.0688 0.6236
PC (o-34:0) [M+H]+ 0.9880 1.0170 1.0784 0.9757 1.0531 1.0948 0.5747 1.0490 0.5764
PC (p-32:1) or PC (o-32:2) [M+H]+ 0.9965 1.1279 1.1044 0.9113 0.9658 1.0716 0.7014 1.0745 0.5738
PC (p-34:0) or PC (o-34:1) [M+H]+ 0.9187 1.1082 1.0695 0.7660 1.2759 1.1606 0.7141 0.9102 0.6542
PC (p-34:1) or PC (o-34:2) [M+H]+ 0.9527 0.9752 0.9917 1.0234 1.0396 1.0872 0.8145 1.1460 0.5502
PC (p-34:2) or PC (o-34:3) [M+H]+ 0.9722 1.0108 1.0337 0.9726 1.0384 1.0978 0.6199 1.1092 0.5902
PC (p-36:1) or PC (o-36:2) A [M+H]+ 0.9666 0.9825 1.0864 0.9266 1.0297 1.1036 0.8192 1.1337 0.5443
PC (p-36:1) or PC (o-36:2) B [M+H]+ 1.0282 1.0813 0.8783 0.9758 1.2823 1.0674 0.6625 1.0368 0.3249
PC (p-36:2) or PC (o-36:3) [M+H]+ 0.9366 1.0287 1.0864 0.9330 1.0844 1.1094 0.5027 1.1036 0.5286
PC (p-36:4) or PC (o-36:5) [M+H]+ 1.0253 1.0612 1.0456 0.9759 1.0105 1.0130 0.6779 1.1131 0.5737
PC (p-36:5) or PC (o-36:6) [M+H]+ 1.0215 0.9327 0.9472 1.0508 1.0533 1.0523 0.5175 1.2550 0.4113
PC (p-38:3) or PC (o-38:4) A [M+H]+ 0.8348 1.1984 0.8731 1.0145 1.0804 1.1135 0.9725 1.0738 0.5673
PC (p-38:3) or PC (o-38:4) B [M+H]+ 1.0242 1.0680 1.0750 0.9767 0.9920 1.0338 0.6194 1.0711 0.6107
PC (p-38:4) or PC (o-38:5) A [M+H]+ 1.0376 1.0342 1.0574 0.9783 0.9984 1.0425 0.6661 1.0790 0.6177
PC (p-38:4) or PC (o-38:5) B [M+H]+ 1.0367 1.1010 1.1364 0.8750 0.9686 1.0461 0.5369 1.1278 0.5391
PC (p-38:5) or PC (o-38:6) A [M+H]+ 0.9696 0.9706 0.9933 0.9815 1.0333 1.1163 0.5504 1.2277 0.4556
PC (p-38:5) or PC (o-38:6) B [M+H]+ 0.9856 1.0267 1.0528 0.9895 1.0293 1.0226 0.7626 1.1100 0.5967
PC (p-38:6) or PC (o-38:7) [M+H]+ 0.8864 1.0241 1.0249 0.9551 1.0605 1.0541 0.5533 1.2657 0.4991
PC (p-40:3) or PC (o-40:4) [M+H]+ 1.0059 1.0378 1.0695 0.9998 1.0341 1.0540 0.5945 1.0519 0.5824
PC (p-40:4) or PC (o-40:5) [M+H]+ 1.0014 1.0605 1.0737 0.9819 1.0171 1.0492 0.6408 1.0518 0.6114
PC (p-40:5) or PC (o-40:6) [M+H]+ 0.9536 1.0325 1.0028 1.0155 1.0169 1.1080 0.2388 1.2175 0.4412
PC (p-40:6) or PC (o-40:7) A [M+H]+ 0.9380 1.0488 1.0541 0.9644 1.0135 1.0828 0.5463 1.1398 0.5997
PC (p-40:6) or PC (o-40:7) B [M+H]+ 1.1750 0.9286 1.0670 0.9553 1.0644 1.0483 0.7868 1.0124 0.5447
PC (p-42:2) or PC (o-42:3) [M+H]+ 0.9678 1.0027 1.0842 0.9917 1.0824 1.1078 0.7245 1.0143 0.5401
PC (p-42:4) or PC (o-42:5) [M+H]+ 1.0097 1.0500 1.0752 0.9894 1.0412 1.0333 0.6571 1.0385 0.6041
PC (p-42:5) or PC (o-42:6) A [M+H]+ 1.0061 1.0342 1.0806 0.9046 1.0027 1.0494 0.7542 1.0989 0.7000
PC (p-42:5) or PC (o-42:6) B [M+H]+ 0.9867 1.0239 1.0583 1.0204 1.1148 1.0458 0.8176 1.0148 0.4850
PC (p-44:4) or PC (o-44:5) [M+H]+ 0.9920 1.0780 1.0764 0.9887 1.0072 1.0390 0.6074 1.0459 0.6428
PE (34:2) [M+H]+ 0.7063 1.0854 1.0538 0.7586 1.2392 1.1242 0.4542 1.2384 0.6557
PE (36:1) [M+H]+ 0.4765 1.2488 1.2493 0.5623 1.2390 1.1633 0.2098 1.3033 0.6682
PE (36:2) [M+H]+ 0.3899 1.2380 0.9772 0.5708 1.1331 1.0288 0.8554 1.6792 0.8589
PE (36:4) [M+H]+ 0.8864 1.0639 0.9643 0.9041 1.1197 1.0519 0.5272 1.2114 0.6602
PE (38:4) [M+H]+ 0.8247 1.0464 1.0551 0.8655 1.1219 1.1024 0.4106 1.1994 0.6681
PE (38:6) [M+H]+ 0.9744 0.9321 0.8363 1.0521 1.1134 1.0314 0.5510 1.2473 0.6471
PE (p-34:1) or PE (o-34:2) [M+H]+ 0.9087 0.9959 1.0934 0.9899 1.1053 1.1272 0.2062 1.1478 0.4128
PE (p-36:1) or PE (o-36:2) [M+H]+ 0.9551 1.0273 1.1146 0.9415 1.0024 1.0800 0.6804 1.1264 0.5586
PE (p-36:2) or PE (o-36:3) [M+H]+ 0.9371 1.0701 1.0700 0.9524 1.0424 1.0809 0.7252 1.0780 0.5823
PE (p-36:4) or PE (o-36:5) [M+H]+ 0.9938 0.9759 1.0657 0.9280 1.0055 1.0743 0.4878 1.2526 0.4846
PE (p-38:4) or PE (o-38:5) [M+H]+ 1.0077 0.9847 1.1388 0.9219 0.9967 1.0709 0.5620 1.1590 0.5263
PE (p-38:5) or PE (o-38:6) [M+H]+ 0.9672 0.9615 1.0483 0.9908 1.0170 1.0865 0.6265 1.1860 0.5230
PE (p-40:4) or PE (o-40:5) A [M+H]+ 0.9834 0.8721 1.2127 0.8000 1.1174 1.2684 0.1440 1.1617 0.3398
PE (p-40:4) or PE (o-40:5) B [M+H]+ 0.9540 0.9340 1.1836 0.9228 1.0233 1.1818 0.2797 1.1282 0.4966
PE (p-40:5) or PE (o-40:6) [M+H]+ 0.9143 0.8743 1.1084 1.0295 1.0773 1.0348 0.2923 1.3140 0.3844
SM (d30:1) [M+H]+ 0.9162 1.0326 1.0446 0.9880 1.0489 1.1091 0.4822 1.0731 0.6787
SM (d32:0) [M+H]+ 1.0051 1.0641 1.0204 1.0195 0.9991 1.0839 0.5528 1.0539 0.6056
SM (d32:1) [M+H]+ 0.9625 1.0358 1.0766 0.9900 1.0311 1.0491 0.5126 1.0673 0.6871
SM (d32:2) [M+H]+ 0.9844 1.0209 1.0321 1.0308 1.0276 1.0153 0.6066 1.1095 0.6292
SM (d33:1) [M+H]+ 1.0030 1.0426 1.0720 0.9780 1.0167 1.0285 0.5232 1.0896 0.6506
SM (d34:0) [M+H]+ 1.0069 1.0277 1.0246 0.9696 1.0098 1.0223 0.7824 1.1243 0.6573
SM (d34:1) [M+H]+ 1.0292 1.0205 1.0690 0.9555 0.9880 1.0425 0.7877 1.0859 0.6597
SM (d34:2) [M+H]+ 0.9963 1.0229 1.0599 0.9930 1.0099 1.0340 0.7879 1.0772 0.6468
SM (d36:0) [M+H]+ 0.9912 1.0393 1.0225 0.9864 1.0169 1.0185 0.8858 1.1236 0.5964
SM (d36:1) [M+H]+ 1.0462 1.0536 1.0482 0.9676 0.9923 1.0129 0.6568 1.0924 0.6540
SM (d36:2) [M+H]+ 1.0077 1.0538 1.0899 0.9743 1.0129 1.0326 0.7482 1.0624 0.5859
SM (d36:3) [M+H]+ 1.2087 1.1559 1.4779 0.6712 1.0331 0.8806 1.6190 0.8651 0.3526
SM (d38:1) [M+H]+ 1.0313 0.9781 1.0819 0.9694 1.0016 1.0391 0.5823 1.0895 0.7145
SM (d38:2) [M+H]+ 1.0631 1.0556 1.0476 0.9268 1.0392 1.0093 0.7709 1.1174 0.5204
SM (d39:1) [M+H]+ 1.0057 1.0877 1.0537 0.9778 0.9990 1.0373 0.4696 1.0781 0.6539
SM (d40:0) [M+H]+ 1.0086 1.0300 1.0348 1.0167 1.0363 1.0604 0.9012 1.0425 0.5357
SM (d40:1) [M+H]+ 1.0146 1.0660 1.0707 0.9770 1.0056 1.0475 0.7260 1.0213 0.6645
SM (d40:2) A [M+H]+ 0.9607 1.0142 1.0654 0.9361 1.0157 1.0879 0.5293 1.1368 0.6587
SM (d40:2) B [M+H]+ 1.0002 1.0740 1.0591 0.9575 1.0177 1.0320 0.7529 1.0577 0.6590
SM (d41:1) [M+H]+ 1.0094 1.0302 1.0550 1.0019 1.0247 1.0318 0.6387 1.0705 0.6285
SM (d41:2) A [M+H]+ 0.8962 1.0800 1.0509 1.0194 1.0468 1.0752 0.5095 1.0772 0.6045
SM (d41:2) B [M+H]+ 1.0259 1.0580 0.9648 1.0150 1.0483 1.0338 0.5986 1.0670 0.6552
SM (d42:1) [M+H]+ 1.0110 1.0448 1.0420 0.9873 1.0199 1.0158 0.8011 1.0643 0.6654
SM (d42:2) [M+H]+ 1.0132 1.0146 1.0304 0.9742 1.0047 1.0584 0.7714 1.1183 0.5981
SM (d42:3) [M+H]+ 0.9929 1.0258 1.0206 0.9620 1.0550 1.0252 0.7894 1.1267 0.6003
SM (d43:1) [M+H]+ 1.0134 1.0834 1.0475 1.0209 1.0377 1.0515 0.3790 1.0886 0.4517
SM (d43:2) [M+H]+ 0.9995 1.0149 1.0494 1.0133 1.0542 1.0646 0.4210 1.1055 0.5126
TG (40:0) [M+K]+ 0.0796 1.5661 1.1599 0.0924 1.4337 1.0038 0.1971 1.7869 0.8540
TG (40:0) [M+Na]+ 0.0720 1.5963 1.1260 0.0825 1.4332 1.0400 0.1651 1.7783 0.8494
TG (40:0) [M+NH4]+ 0.0694 1.6199 1.0805 0.0771 1.4643 1.0826 0.1506 1.7476 0.8231
TG (40:1) [M+K]+ 0.1472 1.7766 1.2828 0.1292 1.1590 1.0104 0.1430 1.7342 0.6129
TG (40:1) [M+Na]+ 0.0665 1.8048 1.3299 0.0758 1.2011 0.9677 0.1838 1.7442 0.7929
TG (40:1) [M+NH4]+ 0.0634 1.8508 1.2598 0.0713 1.3137 0.9449 0.1692 1.7170 0.7263
TG (42:0) [M+K]+ 0.2532 1.6843 1.2603 0.2825 1.1376 0.9023 0.3981 1.6346 0.8163
TG (42:0) [M+Na]+ 0.1332 1.6953 1.1875 0.1548 1.2688 0.9797 0.2992 1.7179 0.8399
TG (42:0) [M+NH4]+ 0.0895 1.3848 0.9614 0.1093 1.5934 1.2313 0.1424 1.7152 0.8860
TG (42:1) [M+K]+ 0.0586 1.7528 1.3747 0.0723 1.2452 0.9083 0.1266 1.7640 0.8362
TG (42:1) [M+Na]+ 0.0402 1.7945 1.4014 0.0519 1.2469 0.9257 0.1702 1.7355 0.7911
TG (42:1) [M+NH4]+ 0.0316 1.8069 1.3668 0.0473 1.2758 0.9575 0.1234 1.7380 0.7376
TG (42:2) [M+K]+ 0.0261 1.4636 1.1561 0.0349 1.5157 1.0390 0.0554 1.8045 1.0446
TG (42:2) [M+Na]+ 0.0156 1.5241 1.1085 0.0223 1.5396 1.1040 0.0271 1.7515 1.0017
TG (42:2) [M+NH4]+ 0.0148 1.5049 1.0595 0.0208 1.6162 1.1379 0.0173 1.7328 0.9463
TG (42:3) [M+K]+ 0.1322 0.6261 0.4137 0.1318 2.2404 1.7882 0.1361 1.3952 1.4531
TG (42:3) [M+Na]+ 0.0319 0.6617 0.4108 0.0404 2.2765 1.8851 0.0420 1.4346 1.4344
TG (42:3) [M+NH4]+ 0.0292 0.6543 0.4225 0.0286 2.3541 1.8582 0.0498 1.4526 1.3020
TG (44:0) [M+K]+ 0.1760 1.4800 1.0940 0.2160 1.3910 1.0530 0.3316 1.6653 0.9185
TG (44:0) [M+Na]+ 0.1562 1.4542 1.1009 0.1976 1.3763 1.0898 0.3105 1.6958 0.9236
TG (44:0) [M+NH4]+ 0.1218 1.4451 1.1049 0.1467 1.4189 1.1632 0.2002 1.6866 0.9141
TG (44:1) [M+K]+ 0.1820 1.8184 1.5262 0.2306 0.9782 0.8874 0.3063 1.5656 0.8423
TG (44:1) [M+Na]+ 0.1585 1.7463 1.4383 0.2008 1.0848 0.9488 0.2765 1.6024 0.8294
TG (44:1) [M+NH4]+ 0.1156 1.4995 1.2753 0.1471 1.3371 1.1563 0.1999 1.5974 0.8763
TG (44:2) [M+K]+ 0.0983 1.5121 1.2715 0.1245 1.3917 1.0968 0.1617 1.5961 0.9681
TG (44:2) [M+Na]+ 0.0647 1.4853 1.2045 0.1047 1.4508 1.1393 0.1192 1.6365 0.9628
TG (44:2) [M+NH4]+ 0.0622 1.4765 1.1480 0.0865 1.5047 1.1922 0.1063 1.6203 0.9448
TG (46:0) [M+K]+ 0.5930 1.2334 0.9869 0.5732 1.2107 1.0514 0.9981 1.3113 1.0204
TG (46:0) [M+Na]+ 0.3974 1.2265 0.9824 0.4856 1.2820 1.0462 0.8724 1.4814 1.1280
TG (46:0) [M+NH4]+ 0.3852 1.2115 1.0404 0.4649 1.2403 1.1349 0.6639 1.4914 1.0483
TG (46:1) [M+K]+ 0.2498 1.5251 1.3555 0.2856 1.1383 1.0043 0.3943 1.5714 0.8649
TG (46:1) [M+Na]+ 0.2365 1.5442 1.3476 0.2636 1.1343 1.0105 0.3219 1.5921 0.8866
TG (46:1) [M+NH4]+ 0.1806 1.5883 1.3964 0.2006 1.1564 1.0589 0.1979 1.5669 0.8912
TG (46:2) [M+K]+ 0.2055 1.5184 1.2707 0.2105 1.2253 1.0102 0.2503 1.6128 1.0452
TG (46:2) [M+Na]+ 0.1524 1.5087 1.1448 0.1690 1.3202 1.1000 0.1845 1.6518 1.0375
TG (46:2) [M+NH4]+ 0.0966 1.3629 1.1325 0.1047 1.4984 1.2700 0.0912 1.5892 1.0125
TG (46:3) A [M+K]+ 0.1994 1.5193 1.4947 0.2311 1.3040 0.9984 0.1356 1.4083 0.9197
TG (46:3) A [M+Na]+ 0.1709 1.5232 1.4084 0.2161 1.2788 1.0607 0.1024 1.4888 0.9177
TG (46:3) A [M+NH4]+ 0.1547 1.5233 1.3117 0.1904 1.3321 1.1626 0.1149 1.4886 0.8550
TG (46:3) B [M+K]+ 0.0662 0.2395 0.2169 0.0691 2.1927 2.0414 0.0847 1.7098 1.7296
TG (46:3) B [M+Na]+ 0.0301 0.2853 0.2248 0.0387 2.4757 1.9990 0.0426 1.5595 1.5908
TG (46:3) B [M+NH4]+ 0.0327 0.3058 0.2583 0.0339 2.5135 2.0770 0.0411 1.4655 1.4495
TG (46:4) A [M+K]+ 0.1757 1.4046 1.0999 0.2223 1.4555 1.1422 0.2187 1.5775 0.9420
TG (46:4) A [M+Na]+ 0.1051 1.4094 1.0766 0.1448 1.5884 1.1992 0.0887 1.5642 0.9423
TG (46:4) A [M+NH4]+ 0.0948 1.4324 1.0142 0.1402 1.5999 1.1488 0.0394 1.6131 0.9538
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]+ 0.1113 0.6393 0.6050 0.1448 2.6010 2.1630 0.1560 0.7265 0.9716
TG (46:5) [M+K]+ 0.1933 0.3510 0.2990 0.2337 2.5426 1.8583 0.2296 1.3568 1.1279
TG (46:5) [M+Na]+ 0.1199 0.4049 0.2871 0.1045 2.4013 1.8818 0.1011 1.4973 1.4495
TG (46:5) [M+NH4]+ 0.0586 0.4179 0.1825 0.0785 2.5511 1.8757 0.0733 1.5584 1.3642
TG (48:0) [M+K]+ 0.9464 1.1899 1.1491 1.0320 1.0338 0.9279 1.1386 1.0519 0.2821
TG (48:0) [M+Na]+ 0.7357 1.1666 1.0373 0.6619 1.0176 1.2758 0.9522 0.9530 1.3417
TG (48:0) [M+NH4]+ 0.4311 1.0818 0.9957 0.5379 1.1509 1.2474 0.9243 1.4805 1.0411
TG (48:1) [M+K]+ 0.6507 1.1966 1.0668 0.7134 1.0783 0.9590 0.8016 1.3031 1.0831
TG (48:1) [M+Na]+ 0.6190 1.1794 1.0777 0.6998 1.0297 0.9876 0.7206 1.3603 1.1254
TG (48:1) [M+NH4]+ 0.5878 1.1829 1.1168 0.6517 1.0659 1.0236 0.6078 1.3386 1.1332
TG (48:2) [M+K]+ 0.5137 1.3755 1.2994 0.6154 0.9672 1.0357 0.5518 1.2566 1.0067
TG (48:2) [M+Na]+ 0.5052 1.3249 1.2385 0.5563 1.0491 1.0451 0.4731 1.3327 1.0245
TG (48:2) [M+NH4]+ 0.4262 1.4174 1.2817 0.4531 1.0911 1.0856 0.3110 1.3203 1.0338
TG (48:3) [M+K]+ 0.3030 1.5775 1.3227 0.2976 1.1004 1.0177 0.2568 1.5400 0.8602
TG (48:3) [M+Na]+ 0.2348 1.5989 1.4091 0.2332 1.1383 1.0304 0.1797 1.5232 0.8728
TG (48:3) [M+NH4]+ 0.1571 1.5882 1.3594 0.1599 1.2632 1.1335 0.1021 1.5060 0.8717
TG (48:4) A [M+K]+ 0.0901 1.4137 1.3530 0.1072 1.4293 1.2177 0.0721 1.4821 0.9966
TG (48:4) A [M+Na]+ 0.0683 1.3646 1.2576 0.0859 1.5162 1.2635 0.0553 1.5050 1.0366
TG (48:4) A [M+NH4]+ 0.0534 1.2636 1.0826 0.0699 1.7007 1.3844 0.0460 1.5022 0.9912
TG (48:4) B [M+K]+ 0.0873 0.4116 0.4634 0.1154 2.4039 1.9486 0.0850 1.0571 1.9892
TG (48:4) B [M+Na]+ 0.0928 0.4301 0.4085 0.0945 2.5288 2.1264 0.0675 0.8600 1.8897
TG (48:4) B [M+NH4]+ 0.0742 0.7491 0.6229 0.0779 2.1935 2.1685 0.0420 0.7507 1.8008
TG (48:5) [M+K]+ 0.0375 0.4739 0.4468 0.0512 2.2826 1.8372 0.0414 1.5592 1.5087
TG (48:5) [M+Na]+ 0.0257 0.4481 0.3828 0.0258 2.4120 1.9007 0.0169 1.4741 1.5465
TG (48:5) [M+NH4]+ 0.0174 0.4098 0.3085 0.0248 2.5536 1.9799 0.0150 1.4191 1.4321
TG (48:6) [M+K]+ 0.0646 0.1187 0.1446 0.0911 2.4326 2.1828 0.0929 1.5207 1.6645
TG (48:6) [M+Na]+ 0.0282 0.0711 0.0781 0.0354 2.6043 2.2253 0.0292 1.5246 1.6268
TG (48:6) [M+NH4]+ 0.0182 0.0327 0.0355 0.0187 2.6549 2.2151 0.0067 1.4876 1.4563
TG (49:0) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (49:0) [M+Na]+ 0.7663 1.1797 0.8929 0.8540 1.0863 1.0041 0.7805 1.1958 1.0600
TG (49:0) [M+NH4]+ 0.7546 1.1808 0.9325 0.8746 1.1232 0.9671 0.7162 1.1690 1.0377
TG (49:1) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (49:1) [M+Na]+ 0.9352 1.0779 1.0028 0.9723 1.0167 0.8772 0.6443 1.1846 0.9448
TG (49:1) [M+NH4]+ 0.7888 1.1170 1.0126 0.8554 1.0630 0.9948 0.4446 1.1794 1.1084
TG (49:2) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (49:2) [M+Na]+ 0.9248 1.0416 1.1155 1.0505 0.9265 0.8198 0.4916 1.2144 0.9423
TG (49:2) [M+NH4]+ 0.8616 1.1489 1.0353 0.8776 1.0004 0.9748 0.4087 1.1917 0.9686
TG (49:3) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (49:3) [M+Na]+ 0.9458 1.2883 1.1419 0.9818 0.8303 0.7857 0.4914 1.1639 0.9084
TG (49:3) [M+NH4]+ 0.7094 1.1555 1.0415 0.7426 1.1055 1.0785 0.2939 1.2200 1.0548
TG (50:0) [M+K]+ 0.9979 1.2074 1.0362 1.0494 0.9868 1.0258 1.0725 1.0254 0.3004
TG (50:0) [M+Na]+ 0.9901 1.2387 1.0211 1.0257 1.0158 1.0097 0.9685 1.0270 0.3351
TG (50:0) [M+NH4]+ 1.0247 1.2313 1.0607 0.9943 1.1167 0.9710 0.8576 1.0112 0.2030
TG (50:1) [M+K]+ 0.7739 1.0455 1.0044 0.8906 1.1551 0.8974 1.3323 1.1348 1.0678
TG (50:1) [M+Na]+ 0.7845 1.0324 0.9710 0.8987 1.0472 0.9930 1.1274 1.2002 1.0598
TG (50:1) [M+NH4]+ 0.6596 1.1829 1.0667 0.7444 1.0628 0.9937 0.7008 1.2806 1.0643
TG (50:2) [M+K]+ 0.8064 1.1560 0.9787 0.8462 1.0668 0.9503 0.8463 1.2189 0.9613
TG (50:2) [M+Na]+ 0.8036 1.1028 1.0308 0.8397 1.0853 0.9677 0.7846 1.1907 0.9877
TG (50:2) [M+NH4]+ 0.7529 1.1390 1.0408 0.7797 1.0879 1.0013 0.6371 1.2194 1.0271
TG (50:3) A [M+K]+ 0.8624 1.0922 1.1062 0.9003 1.0089 0.9517 0.8299 1.1440 0.9043
TG (50:3) A [M+Na]+ 0.7925 1.1217 1.0933 0.8128 1.0293 0.9987 0.7036 1.2007 0.9624
TG (50:3) A [M+NH4]+ 0.6609 1.1919 1.1453 0.6958 1.0717 1.0658 0.4565 1.2089 1.0531
TG (50:3) B [M+K]+ 0.5475 0.6739 0.6837 0.5490 1.6433 1.4629 0.4848 1.2542 1.3183
TG (50:3) B [M+Na]+ 0.2312 0.3330 0.2986 0.2367 2.0637 1.9038 0.1827 1.4697 1.7898
TG (50:3) B [M+NH4]+ 0.2355 0.3974 0.3881 0.2594 2.5225 2.7195 0.1769 0.5696 0.6919
TG (50:4) [M+K]+ 0.5940 1.1561 1.0993 0.6577 1.1079 1.1656 0.5645 1.2368 1.0384
TG (50:4) [M+Na]+ 0.5390 1.1697 1.1429 0.5954 1.1363 1.2051 0.4221 1.2366 1.0652
TG (50:4) [M+NH4]+ 0.4777 1.1935 1.1679 0.5302 1.1989 1.3004 0.2533 1.1841 1.0573
TG (50:5) [M+K]+ 0.3457 0.7970 0.6910 0.3864 1.7433 1.7239 0.1796 1.2079 1.2226
TG (50:5) [M+Na]+ 0.3304 0.6589 0.6758 0.3557 1.8124 1.7953 0.1918 1.2245 1.2764
TG (50:5) [M+NH4]+ 0.2631 0.6366 0.5946 0.3001 1.8990 2.0226 0.1235 1.1752 1.1834
TG (50:6) [M+K]+ 0.2122 0.6394 0.6323 0.1925 1.8346 1.8861 0.1604 1.3887 1.3813
TG (50:6) [M+Na]+ 0.1600 0.6502 0.6149 0.1734 1.9433 1.8674 0.0973 1.4030 1.3288
TG (50:6) [M+NH4]+ 0.1067 0.6211 0.6156 0.1505 1.9862 1.9769 0.0685 1.4099 1.2000
TG (51:1) [M+K]+ 0.9322 1.1768 0.9651 0.9920 1.0026 0.9571 0.6517 1.1398 0.7411
TG (51:1) [M+Na]+ 0.9553 0.9481 0.9326 0.9543 0.9219 0.8814 0.9354 1.2673 1.2660
TG (51:1) [M+NH4]+ 0.5752 0.7716 1.0304 0.6453 1.0911 1.2326 0.6742 1.3713 1.5576
TG (51:2) [M+K]+ 1.2684 1.3516 1.1065 1.0117 0.8586 0.7671 0.3879 0.9956 0.5386
TG (51:2) [M+Na]+ 1.0170 1.1514 1.0208 0.9885 0.9998 0.8669 0.5214 1.1162 0.8166
TG (51:2) [M+NH4]+ 0.8950 1.1190 0.9947 0.9087 1.0767 0.9537 0.3878 1.1496 0.9560
TG (51:3) [M+K]+ 1.0537 1.2511 1.1132 1.0720 0.9482 0.8427 0.2667 0.9797 0.7323
TG (51:3) [M+Na]+ 0.9390 1.1774 1.0974 0.9773 0.9409 0.9040 0.5080 1.0983 0.8853
TG (51:3) [M+NH4]+ 0.7917 1.1010 1.0377 0.8381 1.1024 1.0599 0.3624 1.1513 0.9816
TG (51:4) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (51:4) [M+Na]+ 0.8528 1.1691 1.1469 0.9441 1.0187 0.9309 0.3931 1.0716 0.9137
TG (51:4) [M+NH4]+ 0.6875 1.0872 1.0348 0.7601 1.1837 1.2353 0.2891 1.1100 0.9472
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]+ 0.4439 0.9395 0.9094 0.5050 1.2939 1.7622 0.1434 1.2040 0.9678
TG (52:0) [M+K]+ 1.0528 1.3085 1.0040 1.1050 1.0056 0.9816 0.8580 0.9880 0.1366
TG (52:0) [M+Na]+ 1.0738 1.2941 0.9871 1.0977 0.9951 0.9881 0.8712 0.9785 0.1999
TG (52:0) [M+NH4]+ 1.0628 1.2775 0.9766 1.0626 1.0122 0.9908 0.8078 1.0259 0.2200
TG (52:1) [M+K]+ 0.8205 1.1688 1.0278 0.8740 0.9909 0.9696 1.0048 1.1828 0.9080
TG (52:1) [M+Na]+ 0.7105 1.1781 1.0217 0.7953 1.0817 0.9625 0.8810 1.2625 0.9645
TG (52:1) [M+NH4]+ 0.5484 1.2625 0.9601 0.6520 1.1571 1.0285 0.6409 1.3842 1.0391
TG (52:2) [M+K]+ 0.8185 1.1147 0.9730 1.0532 0.8311 0.9624 1.1495 1.2890 0.8156
TG (52:2) [M+Na]+ 0.8828 1.0548 1.0371 1.0527 0.9902 0.9717 0.8676 1.0908 0.8496
TG (52:2) [M+NH4]+ 0.8409 1.1938 1.0854 0.8683 0.9993 0.9153 0.5700 1.1977 0.9119
TG (52:3) [M+K]+ 0.9566 0.9904 1.0295 0.9722 1.0689 1.0215 0.9914 1.0571 0.7807
TG (52:3) [M+Na]+ 0.9329 0.9898 1.0185 0.9792 1.0395 1.0409 0.8643 1.0952 0.8083
TG (52:3) [M+NH4]+ 0.7667 1.1299 1.0836 0.8059 1.0528 1.0261 0.5432 1.1868 1.0003
TG (52:4) [M+K]+ 0.8725 1.0119 1.0576 0.9931 1.0023 1.1318 1.0165 1.0298 0.7628
TG (52:4) [M+Na]+ 0.8250 1.0010 1.0618 0.8970 1.0240 1.1084 0.8182 1.1222 0.9333
TG (52:4) [M+NH4]+ 0.6072 1.1088 1.0912 0.7153 1.1467 1.1924 0.4624 1.1807 1.0115
TG (52:5) [M+K]+ 0.4953 0.5216 0.6584 0.4942 1.5272 1.6921 0.4769 1.4234 1.2627
TG (52:5) [M+Na]+ 0.1820 0.1722 0.1871 0.1687 2.0767 2.0531 0.2134 1.7235 1.6322
TG (52:5) [M+NH4]+ 0.3615 0.6701 0.6494 0.4209 1.7307 1.9193 0.2042 1.1324 1.2161
TG (52:6) [M+K]+ 0.3582 0.4694 0.5043 0.4154 1.7877 1.8463 0.2970 1.3557 1.4202
TG (52:6) [M+Na]+ 0.2937 0.4228 0.4702 0.3183 1.9509 1.9187 0.1938 1.3496 1.4513
TG (52:6) [M+NH4]+ 0.1389 0.3428 0.3861 0.2239 2.1922 2.1595 0.1186 1.2950 1.3842
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]+ 0.6108 1.2589 0.9197 0.8090 1.1900 0.9187 0.6838 1.2286 1.1712
TG (53:1) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (53:1) [M+Na]+ 0.7918 1.2181 0.8646 0.8843 1.2484 0.9108 0.5003 1.1688 0.9171
TG (53:1) [M+NH4]+ 0.5252 1.3101 0.8513 0.8067 1.3094 1.0076 0.3205 1.3256 0.8095
TG (53:2) [M+K]+ 1.1473 1.0829 0.9726 1.1865 0.9957 0.8622 0.4290 1.0592 0.5321
TG (53:2) [M+Na]+ 0.9844 1.1494 0.9932 0.9796 1.0085 0.8958 0.4219 1.1621 0.8021
TG (53:2) [M+NH4]+ 0.9098 1.1162 0.9933 0.9386 1.0544 0.9371 0.4129 1.1763 0.8861
TG (53:3) [M+K]+ 0.9397 1.1797 1.0688 0.9030 1.0194 0.9757 0.5105 1.0961 0.7737
TG (53:3) [M+Na]+ 0.8831 1.1370 1.0741 0.8880 1.0581 0.9793 0.4364 1.1318 0.8416
TG (53:3) [M+NH4]+ 0.7923 1.1365 1.0421 0.8244 1.1289 1.0273 0.2768 1.1742 0.9172
TG (53:4) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (53:4) [M+Na]+ 0.8235 1.1351 1.0969 0.8378 1.0552 1.0397 0.5028 1.1448 0.8530
TG (53:4) [M+NH4]+ 0.7403 1.1373 1.0581 0.8037 1.1214 1.0843 0.4098 1.1622 0.9119
TG (54:0) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (54:0) [M+Na]+ 1.0822 1.2309 0.9452 1.1128 0.9851 1.0126 0.9643 0.9871 0.2807
TG (54:0) [M+NH4]+ 1.0983 1.2175 0.9451 1.0925 1.0051 1.0450 0.8742 0.9998 0.2028
TG (54:1) [M+K]+ 0.5857 1.3901 1.0295 0.6110 1.1284 0.9299 0.7675 1.3677 0.9409
TG (54:1) [M+Na]+ 0.5161 1.3777 1.0200 0.5858 1.1890 0.9691 0.6863 1.3791 0.9578
TG (54:1) [M+NH4]+ 0.3667 1.3398 1.0054 0.4603 1.3772 1.0795 0.4901 1.4249 0.9347
TG (54:2) [M+K]+ 0.7298 1.2255 1.1939 0.7863 1.0484 0.9513 0.7547 1.2208 0.7383
TG (54:2) [M+Na]+ 0.6726 1.3309 1.1139 0.7344 1.0725 0.9574 0.6194 1.2676 0.7823
TG (54:2) [M+NH4]+ 0.5360 1.4062 1.1578 0.5831 1.1551 0.9560 0.4367 1.3643 0.8040
TG (54:3) [M+K]+ 0.6756 1.4492 1.1387 0.7563 1.0243 0.9758 0.7105 1.1475 0.7562
TG (54:3) [M+Na]+ 0.5484 1.2945 1.0991 0.7578 0.7848 0.8418 2.6789 1.5229 0.7639
TG (54:3) [M+NH4]+ 0.6282 1.4837 1.2770 0.6381 1.0522 0.8955 0.4447 1.2638 0.6934
TG (54:4) [M+K]+ 0.7076 1.1325 1.4766 0.8226 1.0721 1.0170 0.9118 0.9351 0.7367
TG (54:4) [M+Na]+ 0.6205 1.3073 1.2369 0.7230 1.0806 1.0276 0.6311 1.1854 0.7262
TG (54:4) [M+NH4]+ 0.5003 1.5496 1.3561 0.5347 1.0230 0.9460 0.3620 1.3279 0.7172
TG (54:5) A [M+K]+ 0.5312 1.3060 1.2316 0.6105 1.1570 1.0542 0.6136 1.2382 0.8227
TG (54:5) A [M+Na]+ 0.4520 1.3634 1.2567 0.5746 1.1020 1.0432 0.5192 1.3397 0.8351
TG (54:5) A [M+NH4]+ 0.3593 1.4436 1.2512 0.4263 1.2220 1.0841 0.3055 1.3787 0.8179
TG (54:5) B [M+K]+ 0.9016 1.2752 1.2678 0.9721 0.7986 1.1143 0.9898 0.8962 0.6054
TG (54:5) B [M+Na]+ 0.7450 1.0758 1.0440 0.8238 1.1148 1.1572 0.7623 1.0552 1.0036
TG (54:5) B [M+NH4]+ 0.8313 1.2662 1.2880 0.8814 0.6753 0.7359 0.7368 1.3968 0.9518
TG (54:6) A [M+K]+ 0.4476 1.2099 1.1665 0.5083 1.2702 1.1527 0.4865 1.2908 0.9883
TG (54:6) A [M+Na]+ 0.3526 1.2259 1.1349 0.4749 1.3706 1.1375 0.3568 1.4148 0.8498
TG (54:6) A [M+NH4]+ 0.2925 1.2180 1.0579 0.3976 1.4964 1.1702 0.2038 1.4131 1.0109
TG (54:6) B [M+K]+ 0.8237 0.6934 0.7089 0.9038 1.9159 1.0233 0.9936 0.8436 1.0549
TG (54:6) B [M+Na]+ 0.1497 0.3100 0.2430 0.1457 2.2049 2.0372 0.1251 1.4656 1.7331
TG (54:6) B [M+NH4]+ 0.1496 0.7891 0.5683 0.2136 2.2567 1.9152 0.0897 0.8676 1.5156
TG (54:6) C [M+K]+ NA NA NA NA NA NA NA NA NA
TG (54:6) C [M+Na]+ 0.9621 1.0401 1.1567 1.0461 0.9683 1.1675 0.9997 0.8017 0.7380
TG (54:6) C [M+NH4]+ 0.6132 1.0182 1.0424 0.6827 0.9625 1.3459 0.5109 1.2154 1.3230
TG (54:7) A [M+K]+ 0.2026 0.5534 0.4778 0.2774 1.9734 1.7537 0.1622 1.5389 1.3343
TG (54:7) A [M+Na]+ 0.0975 0.3364 0.2971 0.1580 2.1584 1.8051 0.0859 1.8034 1.4969
TG (54:7) A [M+NH4]+ 0.0991 0.3380 0.2926 0.1485 2.5055 1.9582 0.0849 1.3738 1.4083
TG (54:7) B [M+K]+ 0.3203 0.3928 0.3998 0.4141 1.8424 2.0082 0.3195 1.4047 1.2652
TG (54:7) B [M+Na]+ 0.3707 0.5188 0.5342 0.5298 1.9319 1.8307 0.4178 1.0952 1.2648
TG (54:7) B [M+NH4]+ 0.2198 0.3432 0.3828 0.2847 2.0553 2.3565 0.1746 1.0738 1.4538
TG (54:8) [M+K]+ 0.0576 0.0805 0.0761 0.0836 2.3691 2.3297 0.0469 1.5452 1.6820
TG (54:8) [M+Na]+ 0.0219 0.0245 0.0277 0.0188 2.4941 2.4481 0.0188 1.4891 1.7069
TG (54:8) [M+NH4]+ 0.0138 0.0226 0.0187 0.0182 2.6964 2.5376 0.0120 1.3406 1.4480
TG (54:9) [M+K]+ 0.0809 0.0633 0.0595 0.0557 2.2214 2.7496 0.0548 1.3811 1.5407
TG (54:9) [M+Na]+ 0.0201 0.0211 0.0222 0.0215 2.3017 2.8277 0.0186 1.3451 1.4459
TG (54:9) [M+NH4]+ 0.0137 0.0158 0.0150 0.0132 2.4299 2.8844 0.0156 1.3184 1.3533
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]+ 0.4553 1.3750 1.1205 0.6071 1.2438 0.9753 0.4313 1.3184 0.9189
TG (55:2) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (55:2) [M+Na]+ 0.8542 1.1161 0.9505 0.8688 1.2554 0.9107 0.5235 1.2152 0.7297
TG (55:2) [M+NH4]+ 0.7764 1.2879 0.9014 0.7507 1.4120 1.0621 0.5570 1.0777 0.5284
TG (55:3) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (55:3) [M+Na]+ 0.8445 1.2951 1.1578 0.8697 1.1637 0.8541 0.2655 1.0832 0.6818
TG (55:3) [M+NH4]+ 0.8921 1.1599 1.0401 0.9745 1.1591 0.9928 0.1855 1.1816 0.3641
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]+ 0.6992 1.3125 1.0650 0.7650 1.0998 1.0305 0.6882 1.2093 0.6888
TG (56:10) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (56:10) [M+Na]+ 0.2082 0.2299 0.2366 0.2330 1.9218 2.8498 0.2854 1.1355 1.1432
TG (56:10) [M+NH4]+ 0.2490 0.2546 0.3034 0.3389 1.9480 2.6654 0.2454 1.1202 1.0408
TG (56:1) [M+K]+ 0.2336 1.8472 1.1672 0.2385 1.2905 1.1855 0.4443 1.1704 0.3910
TG (56:1) [M+Na]+ 0.2235 1.5176 1.1575 0.2632 1.3129 1.1170 0.3113 1.5082 0.9154
TG (56:1) [M+NH4]+ 0.1908 1.4594 1.1237 0.2232 1.3966 1.1550 0.2667 1.4816 1.0599
TG (56:2) [M+K]+ 0.3856 1.1052 0.9180 0.3871 1.4689 1.3232 0.3492 1.3886 1.0898
TG (56:2) [M+Na]+ 0.2338 1.1460 0.8789 0.2478 1.6019 1.3647 0.2438 1.4919 1.1064
TG (56:2) [M+NH4]+ 0.1605 1.0593 0.8150 0.1954 1.8017 1.4800 0.1684 1.4787 1.0293
TG (56:3) [M+K]+ 0.4725 0.8906 0.7734 0.5776 1.5624 1.3531 0.5203 1.3299 1.0273
TG (56:3) [M+Na]+ 0.3595 0.8533 0.7671 0.3814 1.6772 1.4687 0.2907 1.4249 1.1156
TG (56:3) [M+NH4]+ 0.2989 0.7635 0.6597 0.3088 1.9176 1.5310 0.2108 1.4582 1.0723
TG (56:4) [M+K]+ 0.9652 1.1449 0.9533 0.8695 1.0384 0.9529 0.7499 1.1842 0.8308
TG (56:4) [M+Na]+ 0.5365 0.9811 0.9271 0.5754 1.6507 1.4230 0.4583 1.0469 0.7371
TG (56:4) [M+NH4]+ 0.3501 0.6834 0.6552 0.3810 1.8987 1.5507 0.2552 1.3990 1.1014
TG (56:5) A [M+K]+ 0.7410 0.9709 1.0861 0.9131 1.0937 1.0669 0.6979 1.2095 0.8509
TG (56:5) A [M+Na]+ 0.5259 0.9542 0.9846 0.6599 1.6470 1.3166 0.4372 1.0656 0.7168
TG (56:5) A [M+NH4]+ 0.2610 0.5513 0.5838 0.2338 1.9188 1.8346 0.1475 1.5147 1.1079
TG (56:5) B [M+K]+ 0.7174 0.9006 0.8287 0.7393 1.2628 1.3399 0.6652 1.1494 1.1111
TG (56:5) B [M+Na]+ 0.6938 0.8060 0.8156 0.6739 1.3865 1.3177 0.5583 1.2485 1.0983
TG (56:5) B [M+NH4]+ 0.5883 0.6998 0.6318 0.5554 1.5682 1.4927 0.4667 1.2881 1.3015
TG (56:5) C [M+K]+ 0.9484 1.1215 1.1269 0.9336 1.0279 0.9649 0.8796 1.1014 0.5714
TG (56:5) C [M+Na]+ 0.9169 1.0962 1.0640 0.9200 0.9984 0.9732 0.6890 1.1695 0.7879
TG (56:5) C [M+NH4]+ 0.7978 1.1071 1.1047 0.8336 1.0777 0.9971 0.5465 1.2202 0.8119
TG (56:6) [M+K]+ 0.8495 1.1001 0.9527 0.9787 1.0023 0.9246 0.7802 1.2835 0.8171
TG (56:6) [M+Na]+ 0.8445 1.0865 1.0596 0.8830 1.0503 1.0203 0.6111 1.1477 0.8977
TG (56:6) [M+NH4]+ 0.7988 1.1253 1.0871 0.8514 1.0487 1.0400 0.5237 1.1643 0.8744
TG (56:7) A [M+K]+ 0.9142 0.9396 1.0426 0.9899 1.0230 1.1787 0.7339 1.0054 0.8530
TG (56:7) A [M+Na]+ 0.6903 0.8944 0.8858 0.9276 1.0661 1.2667 0.6317 1.3362 0.8233
TG (56:7) A [M+NH4]+ 0.6377 1.0844 1.1106 0.7420 1.1063 1.2718 0.4608 1.1405 0.9090
TG (56:7) B [M+K]+ NA NA NA NA NA NA NA NA NA
TG (56:7) B [M+Na]+ 0.9935 0.9813 1.0150 1.0532 1.0130 0.8461 0.6590 1.1885 0.8823
TG (56:7) B [M+NH4]+ 0.8712 0.9830 1.0029 0.8861 1.1030 1.0388 0.4947 1.2339 0.8381
TG (56:8) A [M+K]+ 0.7119 1.0604 1.0906 0.9123 1.0574 1.1144 0.7799 1.1531 0.8032
TG (56:8) A [M+Na]+ 0.6126 1.0507 1.0401 0.8308 1.0424 1.3342 0.6350 1.1463 0.9101
TG (56:8) A [M+NH4]+ 0.5218 1.0805 1.0750 0.7005 1.0844 1.4744 0.3950 1.1643 0.8788
TG (56:8) B [M+K]+ 1.0150 1.0522 1.1172 1.0806 0.8712 0.8808 0.7346 1.1332 0.7729
TG (56:8) B [M+Na]+ 0.8082 1.0402 1.0247 0.8636 1.0058 0.9995 0.5665 1.3376 0.8959
TG (56:8) B [M+NH4]+ 0.6736 1.0090 1.0001 0.7602 1.1717 1.1866 0.3927 1.2790 0.9143
TG (56:9) [M+K]+ 0.4460 0.6223 0.6334 0.5291 1.5118 2.1029 0.4117 1.1094 1.0053
TG (56:9) [M+Na]+ 0.3339 0.6314 0.5794 0.5324 1.5825 2.1598 0.2440 1.1302 1.0336
TG (56:9) [M+NH4]+ 0.3232 0.5956 0.5890 0.4853 1.6719 2.2850 0.2383 1.0576 0.9075
TG (57:1) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (57:1) [M+Na]+ 0.3714 1.5159 1.3278 0.5140 1.0804 1.0493 0.3445 1.2845 0.7845
TG (57:1) [M+NH4]+ 0.2488 1.6413 1.3760 0.3495 1.1771 0.9916 0.2508 1.4083 0.8135
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]+ 0.3378 1.4020 1.1311 0.4400 1.3319 1.0747 0.1475 1.4157 0.8952
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]+ NA NA NA NA NA NA NA NA NA
TG (58:10) [M+Na]+ 0.7559 1.0832 1.0735 0.9171 1.0205 1.1280 0.7445 1.1774 0.6991
TG (58:10) [M+NH4]+ 0.5974 0.9378 0.9332 0.7392 1.2603 1.3637 0.6103 1.2457 0.8157
TG (58:1) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (58:1) [M+Na]+ 0.1884 1.6027 1.2269 0.2232 1.2942 1.0097 0.3045 1.4815 1.1056
TG (58:1) [M+NH4]+ 0.2239 1.5953 1.2601 0.2686 1.2699 1.0182 0.3444 1.4553 0.9661
TG (58:2) [M+K]+ 0.2247 1.2079 0.9201 0.2543 1.6283 1.3480 0.2753 1.5325 0.7800
TG (58:2) [M+Na]+ 0.1378 1.1480 0.8395 0.1584 1.6896 1.4348 0.1980 1.5447 1.1147
TG (58:2) [M+NH4]+ 0.1355 1.0315 0.7893 0.1435 1.8238 1.4723 0.1865 1.4741 1.2740
TG (58:3) [M+K]+ 0.2568 0.8067 0.6586 0.2496 1.7908 1.5692 0.3150 1.4747 1.3282
TG (58:3) [M+Na]+ 0.1043 0.8544 0.6682 0.1130 1.9630 1.6967 0.1432 1.5249 1.0958
TG (58:3) [M+NH4]+ 0.0799 0.7086 0.5571 0.0938 2.2173 1.7860 0.1191 1.4200 1.1937
TG (58:4) [M+K]+ 0.4238 0.8212 0.8084 0.4816 1.5461 1.3948 0.5316 1.4746 1.0127
TG (58:4) [M+Na]+ 0.0914 0.1756 0.1473 0.0918 2.4793 2.0123 0.1005 1.6596 1.4405
TG (58:4) [M+NH4]+ 0.0553 0.0935 0.0851 0.0566 2.6604 2.0670 0.0463 1.6555 1.3857
TG (58:5) [M+K]+ 0.7532 1.2711 1.2008 0.7622 1.0954 0.8914 0.6626 1.1671 0.8188
TG (58:5) [M+Na]+ 0.3213 0.4397 0.3568 0.3106 2.0736 1.8723 0.2158 1.4563 1.1859
TG (58:5) [M+NH4]+ 0.1380 0.1977 0.2044 0.1862 2.4628 1.8761 0.0746 1.6844 1.2680
TG (58:6) [M+K]+ 0.5580 0.5519 0.5815 0.5259 1.8740 1.6135 0.5211 1.2074 1.0544
TG (58:6) [M+Na]+ 0.4826 0.6651 0.6553 0.5569 1.7347 1.5417 0.3765 1.3070 1.0416
TG (58:6) [M+NH4]+ 0.3964 0.5279 0.5204 0.4622 1.9138 1.5859 0.2844 1.4356 1.2069
TG (58:8) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (58:8) [M+Na]+ 0.8661 1.1246 1.0908 0.9341 0.9793 1.0070 0.6006 1.2335 0.5947
TG (58:8) [M+NH4]+ 0.8088 1.1305 1.0591 0.8430 1.0790 1.0231 0.4675 1.2706 0.6613
TG (58:9) [M+K]+ 0.9390 1.2266 1.2106 1.1093 0.8481 0.9120 0.7761 1.0225 0.5504
TG (58:9) [M+Na]+ 0.7097 1.0736 1.1743 0.8946 0.9508 0.8934 0.6021 1.4483 0.7477
TG (58:9) [M+NH4]+ 0.6260 1.0066 1.0184 0.6980 1.2065 1.2475 0.4623 1.3456 0.7302
TG (59:2) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (59:2) [M+Na]+ 0.2763 1.6822 1.2679 0.4553 1.2217 1.0025 0.2180 1.4343 0.4879
TG (59:2) [M+NH4]+ 0.1284 1.7312 1.3744 0.2726 1.2259 0.9792 0.1772 1.4919 0.7964
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]+ 0.1501 1.5300 1.2186 0.2737 1.3829 1.1713 0.1821 1.4508 0.7896
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]+ 0.3829 1.6583 1.3187 0.3359 1.1185 0.9597 0.4229 1.3832 0.8609
TG (60:2) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (60:2) [M+Na]+ 0.2203 1.2375 1.0338 0.1447 1.5810 1.2378 0.2708 1.4435 1.2963
TG (60:2) [M+NH4]+ 0.1818 1.2892 1.0291 0.1903 1.5783 1.2818 0.2343 1.4286 1.1329
TG (60:3) [M+K]+ 0.2198 0.9426 0.5516 0.2335 1.8373 1.7600 0.1714 1.5712 0.5244
TG (60:3) [M+Na]+ 0.1209 0.8018 0.6243 0.1170 2.0292 1.7137 0.1043 1.5038 1.1243
TG (60:3) [M+NH4]+ 0.0843 0.7095 0.5839 0.0947 2.1537 1.7157 0.1163 1.4608 1.3286
TG (60:4) [M+K]+ 0.1984 0.4565 0.3512 0.1957 2.1153 1.7752 0.2559 1.6137 1.4098
TG (60:4) [M+Na]+ 0.0537 0.2035 0.1917 0.0718 2.4558 2.0626 0.0532 1.5905 1.5295
TG (60:4) [M+NH4]+ 0.0457 0.3091 0.2603 0.0607 2.4935 2.0554 0.0746 1.5112 1.3305
TG (60:5) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (60:5) [M+Na]+ 0.0948 0.1349 0.1459 0.1052 2.6175 2.1979 0.0854 1.4747 1.2059
TG (60:5) [M+NH4]+ 0.0606 0.1485 0.1316 0.0895 2.7434 2.1734 0.0523 1.4697 1.1087
TG (60:6) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (60:6) [M+Na]+ 0.1747 0.2199 0.1723 0.1713 2.3847 2.0297 0.1590 1.5268 1.4182
TG (60:6) [M+NH4]+ 0.0855 0.1282 0.1019 0.0856 2.5083 2.1712 0.0784 1.5814 1.4250
TG (62:1) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (62:1) [M+Na]+ NA NA NA NA NA NA NA NA NA
TG (62:1) [M+NH4]+ NA NA NA NA NA NA NA NA NA
TG (62:2) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (62:2) [M+Na]+ NA NA NA NA NA NA NA NA NA
TG (62:2) [M+NH4]+ 0.2028 1.0524 0.5342 0.3266 1.9290 1.6790 0.1393 1.2305 0.9583
TG (62:3) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (62:3) [M+Na]+ 0.1531 0.4481 0.4352 0.1431 2.3012 1.8404 0.1787 1.3467 1.4679
TG (62:3) [M+NH4]+ 0.1201 0.4752 0.4188 0.1062 2.3578 1.8520 0.1208 1.4550 1.2938
TG (62:4) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (62:4) [M+Na]+ 0.1850 0.2924 0.2162 0.1648 2.3151 1.9304 0.0867 1.4072 1.0606
TG (62:4) [M+NH4]+ 0.0965 0.2470 0.2173 0.1094 2.5095 2.0279 0.0885 1.4963 1.3873
TG (64:2) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (64:2) [M+Na]+ 1.0499 0.9561 1.0189 1.0060 0.9740 1.0597 0.8838 1.0216 0.8481
TG (64:2) [M+NH4]+ 0.9937 1.0290 1.0241 1.0262 1.0303 1.0300 1.0284 1.0210 0.6592
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]+ 0.0690 0.1442 0.1406 0.1752 2.1754 1.5870 0.1486 1.5434 1.2567
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]+ 0.1135 0.0735 0.0740 0.1617 2.1436 1.6971 0.0649 1.2301 1.0903
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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