Data for Validating Quantitative Untargeted Lipidomics Across Nine Liquid Chromatography−High-Resolution Mass Spectrometry Platforms (part V) (Study ST000987)

(Analysis AN001613)

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 1.0438 1.0222 1.0327 1.0516 0.9941 0.9768 1.1423 0.9836 0.7494
1_CE (22:1) [2M+NH4]+ ISTD 1.0622 1.0010 1.0401 1.0430 0.9802 0.9955 1.0899 0.9821 0.7613
1_CE (22:1) [Chol-head -H2O+H]+ ISTD 1.0516 1.0205 1.0071 1.0355 0.9908 0.9736 1.0877 1.0013 0.8223
1_CE (22:1) [M+Chol-head -H2O+H]+ ISTD 0.9770 1.1067 1.0707 1.1438 0.9222 1.0129 1.2466 1.0458 0.3995
1_CE (22:1) [M+Na]+ ISTD 1.1120 1.0276 1.0167 0.9737 0.9952 0.9736 1.1759 0.9753 0.8158
1_CE (22:1) [M+NH4]+ ISTD 1.0526 1.0293 1.0354 1.0452 0.9788 0.9831 1.0870 0.9771 0.7670
1_Cer (d18:1/17:0) [M+H-H2O]+ ISTD 0.9995 1.0622 1.0751 0.9522 0.9728 0.9198 1.0581 1.0047 1.0489
1_Cer (d18:1/17:0) [M+H]+ ISTD 1.0249 1.0509 1.0726 1.0277 0.9947 0.9554 1.0334 0.9955 0.7523
1_Cer (d18:1/17:0) [M+Na]+ ISTD 1.0180 1.0161 1.0346 1.0334 0.9784 0.9786 1.0675 1.0228 0.8359
1_Cholesterol d7 [M-H2O+H]+ ISTD 0.9590 0.9565 1.0602 1.1181 0.8573 1.0742 1.2999 0.9741 0.9185
1_CUDA [M+H]+ ISTD 1.0211 1.0295 1.0435 1.0179 1.0179 0.9833 1.0440 0.9769 0.7957
1_DG (12:0/12:0/0:0) [M+K]+ ISTD 0.9367 1.0271 1.0687 1.0017 1.0917 1.0165 1.1288 0.9472 0.7468
1_DG (12:0/12:0/0:0) [M+Na]+ ISTD 1.0065 1.0303 1.0239 1.0095 1.0000 1.0001 1.0836 1.0085 0.8283
1_DG (12:0/12:0/0:0) [M+NH4]+ ISTD 1.0220 1.0458 1.0514 0.9937 1.0024 0.9819 1.0019 1.0201 0.7795
1_DG (18:1/2:0/0:0) [M+K]+ ISTD 0.9126 0.9797 0.9836 1.0463 0.9111 1.0108 0.9826 1.0434 1.2565
1_DG (18:1/2:0/0:0) [M+Na]+ ISTD 1.0060 1.0326 1.0399 1.0107 0.9824 0.9814 0.9836 1.0423 0.8390
1_DG (18:1/2:0/0:0) [M+NH4]+ ISTD 1.0103 1.0500 1.0377 1.0095 0.9981 1.0002 1.0577 1.0070 0.7648
1_LPC (17:0) [M+H]+ ISTD 1.0212 1.0338 1.0222 0.9952 1.0130 0.9789 1.0157 1.0076 0.8594
1_LPE (17:1) [M+H]+ ISTD 0.9965 1.0557 1.0517 0.9875 0.9964 0.9813 1.0115 1.0331 0.8171
1_MG (17:0/0:0/0:0) [M+H]+ ISTD 1.0037 1.0341 1.0885 0.9338 0.9845 0.9170 1.0343 1.0980 0.9559
1_MG (17:0/0:0/0:0) [M+Na]+ ISTD 1.0737 1.1026 1.0350 0.9946 1.0079 0.8906 1.0377 0.9623 0.8617
1_PC (12:0/13:0) [M+H]+ ISTD 1.0017 1.0089 1.0778 0.9786 0.9595 1.0050 1.1201 1.0182 0.8973
1_PE (17:0/17:0) [M+H]+ ISTD 1.0464 1.0368 1.0490 1.0172 1.0112 0.9474 1.0688 1.0101 0.7600
1_SM (d18:1/17:0) [M+H]+ ISTD 1.0254 1.0570 1.0256 1.0184 0.9863 0.9817 0.8860 1.0188 0.8085
1_Sphingosine (d17:1) [M+H]+ ISTD 1.0644 1.0646 1.0301 0.9876 1.0129 0.9813 1.0587 0.9510 0.7836
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]+ 1.0546 1.0616 1.0201 1.0910 0.9618 0.9821 1.1818 0.9286 0.7213
1_TG d5 (17:0/17:1/17:0) ISTD [M+NH4]+ 1.0208 1.0374 1.0619 1.0516 1.0175 0.9513 1.0485 0.9366 0.8004
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]+ NA NA NA NA NA NA NA NA NA
Acylcarnitine (C18:2) [M+H]+ NA NA NA NA NA NA NA NA NA
Acylcarnitine (C18:3) [M+H]+ NA NA NA NA NA NA NA NA NA
Acylcarnitine (C8:0) [M+H]+ 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]+ 1.3253 0.9682 0.8950 1.0566 0.7986 1.0260 1.4281 0.9676 0.7777
CE (16:0) [2M+NH4]+ 1.1644 0.9826 0.9871 1.1202 0.9080 1.0214 0.8991 0.9902 0.6574
CE (16:0) [Chol-head -H2O+H]+ 1.1511 1.0135 1.0222 1.0807 0.9480 0.9780 1.0027 0.9370 0.7054
CE (16:0) [M+Chol-head -H2O+H]+ NA NA NA NA NA NA NA NA NA
CE (16:0) [M+Na]+ NA NA NA NA NA NA NA NA NA
CE (16:0) [M+NH4]+ 1.0783 0.9089 0.9869 1.1120 0.9599 1.0262 1.2215 0.8823 0.9684
CE (16:1) [2M+Na]+ NA NA NA NA NA NA NA NA NA
CE (16:1) [2M+NH4]+ 1.0919 1.0693 0.9481 1.1079 0.9980 1.0233 1.0389 1.0180 0.4691
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]+ 1.0567 1.0138 1.0135 1.0649 0.9257 1.0389 0.8671 1.1437 0.6125
CE (18:0) [2M+Na]+ NA NA NA NA NA NA NA NA NA
CE (18:0) [2M+NH4]+ NA NA NA NA NA NA NA NA NA
CE (18:0) [Chol-head -H2O+H]+ NA NA NA NA NA NA NA NA NA
CE (18:0) [M+Chol-head -H2O+H]+ NA NA NA 0.0636 NA 1.9364 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]+ 1.2684 0.9014 1.0137 1.1199 0.9311 1.0327 1.3203 0.9184 0.5072
CE (18:1) [2M+NH4]+ 1.1997 0.9898 1.0288 1.1308 0.9111 1.0117 0.9126 0.9165 0.5883
CE (18:1) [Chol-head -H2O+H]+ NA NA NA NA NA NA NA NA NA
CE (18:1) [M+Chol-head -H2O+H]+ 1.1269 0.9970 0.9345 1.2053 0.8325 1.0151 0.6711 1.1552 0.5650
CE (18:1) [M+Na]+ NA NA NA NA NA NA NA NA NA
CE (18:1) [M+NH4]+ 1.1494 1.0061 1.0208 1.1076 0.9476 1.0054 0.9984 0.9327 0.6155
CE (18:2) [2M+Na]+ 1.1402 1.0460 1.0059 1.1119 0.9536 1.0081 1.0758 0.8902 0.6036
CE (18:2) [2M+NH4]+ 1.1585 1.0279 1.0561 1.1055 0.9509 0.9802 0.9387 0.9182 0.5696
CE (18:2) [Chol-head -H2O+H]+ 1.1076 1.0206 1.0329 1.0934 0.9722 0.9540 1.0445 0.9606 0.6848
CE (18:2) [M+Chol-head -H2O+H]+ 1.0843 1.1092 1.1192 1.0874 1.0262 1.0252 1.2075 0.6270 0.5871
CE (18:2) [M+Na]+ 1.2390 0.9826 1.0211 1.1657 0.9809 0.9731 1.2017 0.8472 0.4399
CE (18:2) [M+NH4]+ 1.1465 1.0496 1.0442 1.0618 0.9581 0.9628 1.0210 0.9547 0.6213
CE (18:3) [2M+Na]+ 1.2275 0.7554 0.9724 1.1141 0.8931 1.3187 NA 0.8266 0.5666
CE (18:3) [2M+NH4]+ 1.1256 0.6497 1.1764 0.3692 1.4885 0.9680 NA NA 0.2363
CE (18:3) [Chol-head -H2O+H]+ 0.8222 1.0023 1.1064 1.1437 0.9760 1.0488 0.4148 1.0755 0.7713
CE (18:3) [M+Chol-head -H2O+H]+ NA NA NA NA NA NA NA NA NA
CE (18:3) [M+Na]+ 1.2534 1.1399 1.1315 1.1089 1.0345 1.0410 0.3928 0.5542 0.2762
CE (18:3) [M+NH4]+ 1.0863 1.0423 0.9380 1.0881 0.9308 1.1201 0.8279 1.0955 0.4521
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 1.0000 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]+ 1.3103 0.8474 0.9516 1.2257 0.9478 0.9728 1.4401 0.7860 0.6924
CE (20:4) [2M+Na]+ 1.2861 1.0593 1.0609 1.2381 0.8277 0.8408 1.2336 0.8631 0.5515
CE (20:4) [2M+NH4]+ 1.1384 1.0687 1.0943 1.1121 0.9584 0.9097 0.7465 0.9483 0.5691
CE (20:4) [Chol-head -H2O+H]+ 1.1471 1.0758 1.0856 1.0486 0.9460 0.9133 0.8215 0.9728 0.6619
CE (20:4) [M+Chol-head -H2O+H]+ NA 1.0000 NA NA NA NA NA NA NA
CE (20:4) [M+Na]+ 1.3856 1.0664 1.1380 1.2682 0.8089 0.7781 1.2667 0.8016 0.3827
CE (20:4) [M+NH4]+ 1.1573 1.0696 1.0857 1.0852 0.9297 0.9003 0.9522 0.9677 0.6194
CE (20:5) [2M+Na]+ NA 0.8445 0.4516 0.9735 2.4787 1.9235 NA NA NA
CE (20:5) [2M+NH4]+ NA NA NA NA NA NA NA NA NA
CE (20:5) [Chol-head -H2O+H]+ 1.0106 1.0964 1.0471 0.9497 1.1704 1.1895 0.1893 0.7281 0.5533
CE (20:5) [M+Chol-head -H2O+H]+ NA NA NA NA NA NA NA NA NA
CE (20:5) [M+Na]+ 1.5668 1.2096 0.7870 1.3807 1.2557 0.7939 0.6276 0.3390 0.2805
CE (20:5) [M+NH4]+ 0.9855 1.0261 0.9811 1.0520 1.0831 1.0308 0.5169 1.2051 0.4372
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]+ 1.0019 1.1327 1.1928 1.0733 0.9694 0.8731 1.3975 0.9944 0.5679
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]+ 1.1920 1.0033 0.9914 1.3134 0.8956 1.0178 0.6130 0.7288 0.5955
CE (22:6) [M+NH4]+ 1.0052 1.0981 1.0720 0.9588 1.0365 0.9846 0.5651 1.0737 0.6701
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]+ NA NA NA NA NA NA NA NA NA
Cer (d36:1) [M+H]+ NA NA NA NA NA NA NA NA NA
Cer (d36:1) [M+H-H2O]+ NA NA NA NA NA NA NA NA NA
Cer (d36:1) [M+Na]+ NA NA NA NA NA NA NA NA NA
Cer (d38:1) [M+H]+ NA NA NA NA NA NA NA NA NA
Cer (d38:1) [M+H-H2O]+ NA NA NA NA NA NA NA NA NA
Cer (d38:1) [M+Na]+ NA 1.0000 NA NA NA NA NA NA NA
Cer (d40:1) [M+H]+ 0.9305 1.1872 1.0822 0.9005 0.9352 0.9461 0.7840 1.0162 1.0174
Cer (d40:1) [M+H-H2O]+ NA NA NA NA NA NA NA NA NA
Cer (d40:1) [M+Na]+ NA NA NA NA NA NA NA NA NA
Cer (d41:1) [M+H]+ 1.0014 1.3583 1.2226 0.9768 0.7921 0.9580 0.7060 0.8361 0.7092
Cer (d41:1) [M+H-H2O]+ NA NA NA NA NA NA NA NA NA
Cer (d41:1) [M+Na]+ 0.9751 1.2102 1.0193 0.9868 1.0937 0.7862 0.4346 0.9412 1.1340
Cer (d42:1) [M+H]+ 1.0939 1.0958 1.0855 0.9759 1.0154 0.9788 0.5762 1.0181 0.5730
Cer (d42:1) [M+H-H2O]+ NA NA NA NA NA NA NA NA NA
Cer (d42:1) [M+Na]+ 0.9575 1.0328 1.1931 0.9346 0.9554 0.9629 0.8309 1.0411 0.9290
Cer (d42:2) A [M+H]+ 0.9459 1.4100 1.2620 0.8742 0.6821 0.9447 0.6203 1.3583 NA
Cer (d42:2) A [M+H-H2O]+ 1.0000 NA NA NA NA NA NA NA NA
Cer (d42:2) A [M+Na]+ 1.0591 1.0732 1.1320 0.9052 0.9913 1.0083 0.6524 1.0650 0.6944
Cer (d42:2) B [M+H]+ 0.7583 1.0753 1.3493 1.1670 0.6186 1.2831 0.4079 1.2510 0.4079
Cer (d42:2) B [M+H-H2O]+ NA NA NA NA NA NA NA NA NA
Cer (d42:2) B [M+Na]+ 1.2335 1.5521 0.8085 0.7470 0.8303 0.8145 NA 1.0204 0.5102
Cholesterol [M-H2O+H]+ 1.0208 1.0500 1.0364 1.0143 1.0054 0.9764 1.0198 0.9957 0.7967
DG (32:0) [M+K]+ NA NA NA NA NA NA NA NA NA
DG (32:0) [M+Na]+ NA NA NA NA NA NA NA NA NA
DG (32:0) [M+NH4]+ NA NA NA NA NA NA NA NA NA
DG (32:1) [M+K]+ NA NA NA NA NA NA NA NA NA
DG (32:1) [M+Na]+ 1.0832 0.4814 1.6097 0.9387 0.6030 1.9497 NA 0.4212 0.8846
DG (32:1) [M+NH4]+ NA NA NA NA NA NA NA NA NA
DG (34:0) [M+K]+ NA NA NA NA NA NA NA NA NA
DG (34:0) [M+Na]+ NA NA NA NA NA NA NA NA NA
DG (34:0) [M+NH4]+ NA NA NA NA NA NA NA NA NA
DG (34:1) [M+K]+ NA NA NA NA NA NA NA NA NA
DG (34:1) [M+Na]+ 0.8050 1.2194 1.1358 0.8378 0.9493 1.0783 0.5908 1.1780 0.7904
DG (34:1) [M+NH4]+ 0.6910 1.4094 1.2184 1.1322 0.8926 1.0279 0.1424 0.8408 0.5381
DG (34:2) [M+K]+ NA NA NA NA NA NA NA NA NA
DG (34:2) [M+Na]+ 0.8333 1.2859 0.9884 0.7235 1.0488 0.9691 0.8348 1.1032 1.2329
DG (34:2) [M+NH4]+ 0.9625 1.3129 1.2337 0.3392 1.2612 1.4624 NA 0.4140 0.9211
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 1.0000 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]+ 0.9152 1.2624 1.1269 0.9252 0.9761 0.9117 0.4852 1.0294 0.8611
DG (36:2) [M+NH4]+ 0.8681 1.2777 1.2439 0.8697 0.9113 0.8799 0.5465 1.1581 0.8078
DG (36:3) [M+K]+ 0.6566 0.8876 1.4598 0.9075 1.7823 0.6431 0.3195 1.0134 0.5065
DG (36:3) [M+Na]+ 0.7913 1.1921 1.1988 0.8685 0.9986 1.0392 0.5715 1.0924 0.7890
DG (36:3) [M+NH4]+ 0.7832 1.1736 1.2505 0.7961 1.0132 1.0416 0.5739 1.0429 0.9342
DG (36:4) A [M+K]+ NA NA NA NA NA NA NA NA NA
DG (36:4) A [M+Na]+ 0.4699 1.1433 1.3064 1.0838 0.6583 1.6089 0.1318 0.7308 0.5254
DG (36:4) A [M+NH4]+ 0.6826 1.1738 1.3459 0.7256 1.1294 1.1385 0.4527 0.8610 0.9823
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]+ 0.3529 0.3654 0.2991 0.3469 1.5460 1.9602 0.4185 0.7764 0.7147
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]+ 1.1701 1.3505 1.2367 1.0478 0.7219 0.8755 NA 0.6763 0.3650
DG (38:6) [M+NH4]+ NA NA NA NA 0.1318 1.8682 NA NA NA
Hex2Cer (d34:1) [M+H]+ 0.9961 1.0626 1.0587 0.9840 1.0016 1.0004 0.8491 1.0635 0.7308
Hex2Cer (d34:1) [M-H2O+H]+ 2.3576 0.4240 0.4625 0.1670 NA 0.2313 NA NA NA
Hex2Cer (d34:1) [M+Na]+ 1.1121 1.1229 0.9789 1.0718 1.2280 0.9168 0.6634 0.8480 0.4275
HexCer (d40:1) [M+H]+ NA NA NA NA NA NA NA NA NA
HexCer (d40:1) [M-H2O+H]+ NA NA NA NA NA NA NA NA NA
HexCer (d40:1) [M+Na]+ NA NA NA NA NA NA NA NA NA
HexCer (d42:1) [M+H]+ 0.9606 1.4353 0.7233 1.0270 0.9098 1.2092 NA 0.9719 0.2712
HexCer (d42:1) [M-H2O+H]+ NA NA NA NA NA NA NA NA NA
HexCer (d42:1) [M+Na]+ NA NA NA NA NA NA NA NA NA
HexCer (d42:2) [M+H]+ 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]+ NA NA NA NA NA NA NA NA NA
LPC (15:0) [M+H]+ NA NA NA NA NA NA NA NA NA
LPC (16:0) [M+H]+ 0.9972 1.0821 0.9687 1.0192 1.0559 0.9583 1.1384 1.0478 0.7312
LPC (16:1) [M+H]+ 1.0989 0.8829 0.8745 1.0880 1.1636 0.8926 1.5740 1.0630 0.7906
LPC (18:0) [M+H]+ 1.0375 1.0806 0.9666 1.0616 1.0019 0.9697 1.1493 1.0339 0.6766
LPC (18:1) [M+H]+ 1.0642 1.0751 0.9744 1.1092 1.0253 0.9259 0.8343 1.0171 0.6473
LPC (18:2) [M+H]+ 0.9090 1.1062 0.9991 0.9993 1.1013 1.0331 0.6732 1.0539 0.6617
LPC (18:3) [M+H]+ NA NA NA NA NA NA NA NA NA
LPC (20:3) [M+H]+ 1.0878 1.1032 0.9714 1.0744 0.9715 0.8503 0.7542 1.1967 0.6576
LPC (20:4) [M+H]+ 1.0985 1.0371 0.9130 1.1013 1.0293 0.8998 0.9624 1.0481 0.7712
LPC (20:5) [M+H]+ NA NA NA NA NA NA NA NA NA
LPC (22:5) [M+H]+ NA NA NA NA NA NA NA NA NA
LPE (18:0) [M+H]+ NA NA NA NA NA NA NA NA NA
LPE (18:2) [M+H]+ NA NA NA NA NA NA NA NA NA
LPE (20:4) [M+H]+ NA NA NA NA NA NA NA NA NA
LPE (22:3) [M+H]+ 1.0491 0.9476 0.9528 0.8834 0.9118 0.8051 0.7916 1.0475 1.9391
LPE (22:6) [M+H]+ NA NA NA NA NA NA NA NA NA
PC (28:0) [M+H]+ 0.5895 0.7484 1.4158 0.5547 1.0983 1.6782 NA 0.9334 0.8429
PC (30:0) [M+H]+ 1.0309 1.0418 1.0673 0.9985 0.9845 1.0144 0.6484 1.0118 0.7784
PC (31:0) [M+H]+ 1.0776 1.1262 1.0504 1.0634 0.9981 0.9271 0.5903 1.0386 0.5410
PC (31:1) [M+H]+ NA NA NA NA NA NA NA NA NA
PC (32:0) [M+H]+ 0.9918 1.0732 1.0511 0.9986 0.9722 1.0551 0.7945 1.0698 0.6473
PC (32:1) [M+H]+ 0.9530 1.0170 1.0126 1.0127 1.0184 0.9927 1.0067 1.1265 0.7911
PC (32:2) [M+H]+ 0.9348 1.0122 1.1029 1.0075 0.9989 1.0364 0.5591 1.0343 0.8429
PC (33:0) [M+H]+ 1.1584 1.0245 1.2574 0.8196 0.9987 1.0050 0.3704 1.0241 0.5980
PC (33:1) [M+H]+ 0.9993 1.0403 1.0744 0.9899 1.0446 0.9713 0.4864 1.0611 0.7704
PC (33:2) [M+H]+ 0.9570 1.0667 1.0930 1.0145 1.0250 1.0050 0.3319 1.0602 0.7119
PC (34:0) [M+H]+ 1.0197 1.0423 1.0145 0.9875 1.0139 1.0335 0.5711 1.0750 0.7436
PC (34:1) [M+H]+ 0.9823 1.0581 1.0613 0.9925 1.0117 0.9974 0.8124 1.0633 0.7355
PC (34:2) [M+H]+ 0.8912 1.0625 1.0935 0.9708 1.0302 1.0279 0.8050 1.0683 0.7785
PC (34:3) A [M+H]+ 0.9817 1.0778 1.2359 0.9768 1.0855 0.9528 0.4044 1.0482 0.4205
PC (34:3) B [M+H]+ 0.9995 1.0882 1.0564 1.0028 1.0049 0.9255 0.7383 1.0892 0.7774
PC (34:3) C [M+H]+ 0.5103 0.6773 0.6722 0.5927 1.2895 2.2163 0.5358 1.0539 0.8758
PC (34:4) [M+H]+ 0.8831 1.0472 1.1027 0.8454 0.9862 1.0679 0.5573 1.0260 1.2047
PC (35:1) [M+H]+ 1.0460 1.1414 1.1345 0.9507 0.9864 1.0118 0.5558 0.9484 0.6350
PC (35:2) A [M+H]+ 0.8311 1.6034 1.0425 0.9699 0.7794 1.2273 0.1433 0.9086 0.3748
PC (35:2) B [M+H]+ 0.9322 1.0907 1.1093 0.9260 1.0582 1.0463 0.5095 1.0446 0.6995
PC (35:3) [M+H]+ 0.7384 1.2157 1.1948 0.8341 1.0339 1.1172 0.3347 0.9995 0.8687
PC (35:4) [M+H]+ 0.9889 1.1082 1.1503 0.9584 0.9833 1.0032 0.4308 1.0283 0.6978
PC (36:1) [M+H]+ 0.9666 1.0896 1.1036 0.9612 1.0249 0.9845 0.7605 1.0653 0.6951
PC (36:2) [M+H]+ 0.9307 1.0766 1.1058 0.9360 1.0311 1.0415 0.7454 1.0576 0.7195
PC (36:3) A [M+H]+ 1.0333 1.1432 1.3636 0.9058 0.9836 0.8637 0.6059 1.0268 0.5012
PC (36:3) B [M+H]+ 0.9723 1.0869 1.0778 0.9428 1.0117 1.0471 0.6454 0.9997 0.7939
PC (36:4) A [M+H]+ 0.9024 1.0338 1.1081 0.9867 1.0584 1.0660 0.6303 0.9861 0.7619
PC (36:4) B [M+H]+ 0.8299 0.9267 0.8373 0.8501 1.0146 1.2454 0.9242 1.3130 1.1156
PC (36:4) C [M+H]+ 0.9749 1.0591 1.0756 0.9680 1.0096 1.0020 0.7906 1.0734 0.7575
PC (36:5) A [M+H]+ 0.9659 1.1130 1.2238 1.4428 0.6820 0.7345 0.5913 1.0341 0.6746
PC (36:5) B [M+H]+ NA NA NA NA NA NA NA NA NA
PC (36:5) C [M+H]+ 0.9449 0.8808 0.9132 0.9747 1.1881 1.3465 0.7863 0.9675 0.4043
PC (36:5) D [M+H]+ 0.9020 0.9967 0.9722 1.0382 1.0721 1.0490 0.6393 1.1849 0.7026
PC (36:6) [M+H]+ 0.7809 1.1400 0.9794 0.9557 1.0764 1.0804 0.7318 0.9197 1.1261
PC (37:2) [M+H]+ 0.7518 0.9983 1.2033 0.8552 0.8509 1.1250 0.6840 1.2513 1.1187
PC (37:4) [M+H]+ 1.0235 1.1498 1.0995 0.9961 0.9973 1.0120 0.4383 0.9783 0.6050
PC (37:5) [M+H]+ 0.9617 1.0599 1.0588 0.9553 1.0793 1.1784 0.5960 0.9296 0.5079
PC (37:6) [M+H]+ 0.9586 0.9692 1.1140 0.7787 0.9300 1.0925 0.3968 1.2237 1.1358
PC (38:1) [M+H]+ 0.9466 1.3157 0.9113 0.7107 1.1156 1.1079 0.6335 1.1838 0.5693
PC (38:2) [M+H]+ 0.9333 1.1219 1.0288 0.9044 0.9916 1.0060 1.1314 1.0599 0.9315
PC (38:3) [M+H]+ 0.9714 1.0347 1.0830 0.9596 0.9962 1.0180 0.7693 1.0460 0.8567
PC (38:4) A [M+H]+ 0.9401 1.2846 0.9511 1.0416 0.9456 1.0278 0.4269 0.9479 0.8080
PC (38:4) B [M+H]+ 0.9619 1.0822 1.1060 0.9286 0.9530 0.9749 0.9612 1.1019 0.8704
PC (38:4) C [M+H]+ 1.0013 1.0674 1.0734 0.9823 1.0111 1.0045 0.8185 0.9981 0.7596
PC (38:5) A [M+H]+ 1.0011 1.0693 1.0811 0.9993 1.0266 1.0229 0.7327 1.0322 0.5949
PC (38:5) B [M+H]+ 0.9513 1.0073 1.0412 0.9859 1.0638 1.0636 0.8081 1.1372 0.5839
PC (38:6) A [M+H]+ 0.9990 1.0731 1.0537 1.0029 0.9950 1.0120 0.6792 1.0017 0.7880
PC (38:6) B [M+H]+ 0.9706 1.0445 0.9807 0.9957 1.0487 1.0224 0.5652 1.1344 0.7467
PC (38:6) C [M+H]+ 0.9682 1.1056 1.1307 0.9003 1.0543 1.0901 0.5257 0.9745 0.6254
PC (38:7) [M+H]+ 0.9013 1.2134 1.2111 0.9915 1.0578 1.1088 0.3003 0.7254 0.5526
PC (39:4) [M+H]+ 0.5883 2.8862 0.6874 0.8504 0.4230 0.4428 NA 0.5949 0.3173
PC (40:4) [M+H]+ 0.9672 1.0837 1.0281 0.9495 0.9951 1.0164 1.1108 1.0492 0.8316
PC (40:5) A [M+H]+ 0.9746 1.0259 1.0229 0.9948 1.0277 1.0171 0.8305 1.0724 0.7914
PC (40:5) B [M+H]+ 0.9889 1.0450 1.0805 0.9416 0.9594 0.9941 0.9966 1.0450 0.9350
PC (40:6) A [M+H]+ 0.9734 1.1159 1.0921 0.9876 0.8267 1.1497 1.0368 0.8237 0.9735
PC (40:6) B [M+H]+ 0.9720 1.0357 1.0723 0.9888 1.0279 0.9555 0.5997 1.1251 0.7662
PC (40:7) A [M+H]+ 1.0779 1.1399 1.1652 1.0865 0.9032 0.8564 0.7582 0.9205 0.7320
PC (40:7) B [M+H]+ 1.0130 1.1200 1.0890 0.9590 1.0196 1.0193 0.5814 1.0267 0.6043
PC (40:8) [M+H]+ 1.0673 0.9506 1.1730 0.9660 1.0244 0.9265 0.5251 1.0643 0.7996
PC (42:10) [M+H]+ NA NA NA NA NA NA NA NA NA
PC (o-32:0) [M+H]+ 0.9866 1.0861 1.0410 1.0657 1.0307 1.0047 0.8092 1.0522 0.5101
PC (o-34:0) [M+H]+ 0.9250 1.3548 0.9724 1.0821 0.1340 1.6816 NA 0.7313 0.1923
PC (p-32:1) or PC (o-32:2) [M+H]+ 0.9833 0.9523 1.0567 1.0941 1.1826 1.0202 0.7884 0.7778 0.4607
PC (p-34:0) or PC (o-34:1) [M+H]+ NA NA NA NA NA NA NA NA NA
PC (p-34:1) or PC (o-34:2) [M+H]+ 0.9469 1.0374 1.0134 1.0181 1.0607 1.0471 0.9332 1.0897 0.6062
PC (p-34:2) or PC (o-34:3) [M+H]+ 0.9557 1.0818 1.0728 0.9423 1.0429 1.0395 0.7141 1.0942 0.6411
PC (p-36:1) or PC (o-36:2) A [M+H]+ 1.0073 1.2850 1.0721 0.9455 1.0419 0.8996 1.0030 1.1359 0.3154
PC (p-36:1) or PC (o-36:2) B [M+H]+ NA NA NA NA NA NA NA NA NA
PC (p-36:2) or PC (o-36:3) [M+H]+ 0.9012 1.0247 1.0522 0.9452 1.0906 1.0167 0.6664 1.0876 0.8637
PC (p-36:4) or PC (o-36:5) [M+H]+ 1.0045 1.0857 1.0764 0.9916 0.9858 0.9927 0.7481 1.0697 0.6786
PC (p-36:5) or PC (o-36:6) [M+H]+ 1.0581 1.0736 0.8437 1.0980 1.1069 0.9729 0.4181 1.2706 0.3685
PC (p-38:3) or PC (o-38:4) A [M+H]+ 0.8040 1.3342 1.4828 0.8957 0.6422 0.9846 0.4623 1.0838 0.7903
PC (p-38:3) or PC (o-38:4) B [M+H]+ 1.0433 1.0868 1.0781 0.9948 0.9934 0.9662 0.7265 1.0452 0.6707
PC (p-38:4) or PC (o-38:5) A [M+H]+ 1.0407 1.0603 1.0501 1.0100 1.0089 1.0260 0.7124 1.0115 0.6393
PC (p-38:4) or PC (o-38:5) B [M+H]+ 1.0585 1.1110 1.1159 0.9528 1.0290 0.9850 0.6127 1.0509 0.5033
PC (p-38:5) or PC (o-38:6) A [M+H]+ 0.9467 1.0360 1.0341 1.0193 1.0128 1.0145 0.7210 1.1603 0.6793
PC (p-38:5) or PC (o-38:6) B [M+H]+ 1.0276 1.1169 1.0930 0.9205 0.9521 1.0254 0.7787 1.1168 0.6183
PC (p-38:6) or PC (o-38:7) [M+H]+ 1.0151 1.0549 1.0509 0.9667 0.9888 0.9633 0.4833 1.2166 0.7154
PC (p-40:3) or PC (o-40:4) [M+H]+ 1.0156 1.1125 1.1803 1.0672 0.9019 1.0416 0.6063 0.9091 0.5813
PC (p-40:4) or PC (o-40:5) [M+H]+ 1.0342 1.0145 1.0699 1.0373 1.0104 1.0534 0.7035 1.0675 0.4985
PC (p-40:5) or PC (o-40:6) [M+H]+ 0.9576 0.8845 0.9250 1.1525 1.0966 1.0738 0.4884 1.0313 0.8106
PC (p-40:6) or PC (o-40:7) A [M+H]+ 0.9829 1.0308 1.1039 0.9878 1.0443 0.9497 0.5268 1.1115 0.7325
PC (p-40:6) or PC (o-40:7) B [M+H]+ 1.0394 0.9141 0.8068 1.1184 1.1738 1.1730 0.3213 0.9758 0.6432
PC (p-42:2) or PC (o-42:3) [M+H]+ NA NA NA NA NA NA NA NA NA
PC (p-42:4) or PC (o-42:5) [M+H]+ 0.9944 1.1351 1.1622 0.9242 1.0515 0.9320 0.7677 1.0232 0.6310
PC (p-42:5) or PC (o-42:6) A [M+H]+ 1.1285 0.9864 0.9850 0.9766 1.0806 1.0693 1.2653 0.7842 0.6102
PC (p-42:5) or PC (o-42:6) B [M+H]+ NA NA NA NA NA NA NA NA NA
PC (p-44:4) or PC (o-44:5) [M+H]+ 0.9444 1.0797 1.0757 0.9577 1.0923 0.9954 0.6275 1.0294 0.7310
PE (34:2) [M+H]+ NA NA NA NA NA NA NA NA NA
PE (36:1) [M+H]+ NA NA NA NA NA NA NA NA NA
PE (36:2) [M+H]+ 0.5506 1.4070 1.1871 0.6045 1.3011 1.0828 0.5540 1.0988 0.6770
PE (36:4) [M+H]+ 1.0044 1.2335 1.0239 0.9057 1.0602 0.9417 0.2033 1.1268 0.6487
PE (38:4) [M+H]+ 0.8088 1.1029 0.9969 0.8674 1.1693 1.0697 0.5033 1.1618 0.8052
PE (38:6) [M+H]+ 1.0847 1.0710 0.8226 1.0386 1.1133 0.9806 0.2991 1.3043 0.4356
PE (p-34:1) or PE (o-34:2) [M+H]+ NA NA NA NA NA NA NA NA NA
PE (p-36:1) or PE (o-36:2) [M+H]+ NA NA NA NA NA NA NA NA NA
PE (p-36:2) or PE (o-36:3) [M+H]+ 1.0043 1.3145 0.5919 0.7675 0.8063 1.1614 NA 1.0239 0.7920
PE (p-36:4) or PE (o-36:5) [M+H]+ 0.9168 1.0690 1.0756 0.9558 1.0438 1.0234 0.6437 1.2481 0.5259
PE (p-38:4) or PE (o-38:5) [M+H]+ 1.1420 1.2132 1.1540 0.7294 0.9099 0.7930 2.1316 1.3032 0.5990
PE (p-38:5) or PE (o-38:6) [M+H]+ 0.8861 0.9531 0.9861 1.0806 1.0834 1.0688 0.8704 1.0864 0.7335
PE (p-40:4) or PE (o-40:5) A [M+H]+ NA 0.8876 0.9731 0.6104 0.8994 2.9193 NA 0.4497 NA
PE (p-40:4) or PE (o-40:5) B [M+H]+ 1.2439 0.9598 0.3746 0.8651 0.5599 2.7088 NA 1.0776 0.2273
PE (p-40:5) or PE (o-40:6) [M+H]+ NA NA NA NA NA NA NA NA NA
SM (d30:1) [M+H]+ 0.8889 1.0344 1.6943 0.7569 1.2926 0.8593 0.2296 0.6897 0.6252
SM (d32:0) [M+H]+ NA NA NA NA NA NA NA NA NA
SM (d32:1) [M+H]+ 1.0063 1.0603 1.0919 0.9703 1.0246 1.0069 0.5554 1.0047 0.7611
SM (d32:2) [M+H]+ 0.8843 1.1070 0.9917 1.0275 1.0697 1.1553 0.8023 0.8307 0.7944
SM (d33:1) [M+H]+ 1.0031 1.0424 1.0757 1.0027 1.0118 1.0067 0.6351 1.0460 0.7151
SM (d34:0) [M+H]+ 0.9856 1.0484 1.0799 0.9925 1.0307 0.9929 0.9408 1.1435 0.5332
SM (d34:1) [M+H]+ 0.9893 1.0790 1.0668 0.9752 0.9955 1.0139 0.8033 1.0679 0.7011
SM (d34:2) [M+H]+ 0.9671 1.0484 1.0815 0.9697 0.9790 1.0036 0.7740 1.0847 0.8292
SM (d36:0) [M+H]+ 0.9753 0.9142 1.0572 1.2655 0.9534 0.7704 1.1863 1.0985 0.9548
SM (d36:1) [M+H]+ 0.9849 1.0742 1.0763 0.9945 1.0159 0.9721 0.7507 1.0942 0.6761
SM (d36:2) [M+H]+ 0.9970 1.0542 1.0828 0.9734 1.0157 1.0023 0.7399 1.0733 0.6930
SM (d36:3) [M+H]+ 1.0578 0.8458 0.9072 1.4431 0.8594 1.2939 0.5483 0.7321 0.6902
SM (d38:1) [M+H]+ 1.0142 1.0914 1.0723 0.9817 0.9997 0.9802 0.6052 1.0282 0.7652
SM (d38:2) [M+H]+ 1.0360 1.0532 1.1012 0.9591 0.9921 0.9631 0.6603 1.1048 0.7187
SM (d39:1) [M+H]+ 1.0139 1.0910 1.0655 0.9845 0.9976 1.0274 0.4846 1.0136 0.7210
SM (d40:0) [M+H]+ 1.0605 1.0547 0.9544 1.0088 1.1099 1.0555 0.5620 0.8669 0.7513
SM (d40:1) [M+H]+ 1.0289 1.0866 1.0758 0.9767 1.0158 0.9688 0.7827 1.0384 0.6885
SM (d40:2) A [M+H]+ 0.8897 0.9749 0.6546 1.1132 1.0996 1.1362 0.3866 1.3686 0.8107
SM (d40:2) B [M+H]+ 1.0234 1.0974 1.0918 0.9651 1.0020 0.9639 0.7465 1.0351 0.7244
SM (d41:1) [M+H]+ 0.9771 1.0799 1.0469 1.0175 1.0215 1.0012 0.7815 1.0567 0.6623
SM (d41:2) A [M+H]+ 0.9243 1.3714 0.7229 1.4843 1.0139 0.8102 NA 1.3977 0.2771
SM (d41:2) B [M+H]+ 0.9242 1.0656 1.1172 1.0126 1.0543 0.9809 0.4781 1.0772 0.6696
SM (d42:1) [M+H]+ 0.9794 1.0957 1.0931 1.0217 0.9918 1.0143 0.5390 1.0409 0.6335
SM (d42:2) [M+H]+ 0.9951 1.0391 1.0569 0.9963 1.0139 1.0074 0.8063 1.1094 0.6535
SM (d42:3) [M+H]+ 0.9873 1.0542 1.0730 0.9907 1.0159 0.9893 0.7935 1.0876 0.6901
SM (d43:1) [M+H]+ 0.8957 1.2027 1.1259 0.8497 1.1033 0.9460 0.9989 1.0776 0.6033
SM (d43:2) [M+H]+ 1.1170 1.0607 1.2169 0.9957 0.8933 1.0656 0.4261 0.8621 0.6322
TG (40:0) [M+K]+ NA 3.9834 NA 0.3873 0.3430 0.6584 NA NA 0.8133
TG (40:0) [M+Na]+ 0.1346 1.3629 0.9089 0.1383 1.1342 0.8971 0.1346 1.4725 0.9644
TG (40:0) [M+NH4]+ 0.0988 1.5101 1.0223 0.0678 1.2491 0.9358 0.0937 1.6503 0.6606
TG (40:1) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (40:1) [M+Na]+ 0.9846 1.1068 1.5109 0.0352 0.9121 1.0354 NA 0.8509 0.3516
TG (40:1) [M+NH4]+ 0.6981 1.0627 1.6583 0.2539 0.8660 1.1557 NA 0.9141 0.2274
TG (42:0) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (42:0) [M+Na]+ 0.2695 1.5025 1.1661 0.2583 1.1544 0.9309 0.2652 1.4834 0.9792
TG (42:0) [M+NH4]+ 0.1721 1.3871 0.9752 0.1518 1.4007 1.0053 0.2182 1.5833 0.6769
TG (42:1) [M+K]+ 0.3078 1.4500 0.8533 NA 0.7356 0.9029 NA 1.1596 0.8455
TG (42:1) [M+Na]+ 0.1548 1.6471 1.2159 0.1289 1.0229 0.8117 0.1194 1.3967 0.5969
TG (42:1) [M+NH4]+ 0.1358 1.4830 1.1535 0.0564 1.0242 0.8270 0.0681 1.5173 0.7370
TG (42:2) [M+K]+ 0.4035 1.1766 0.8114 0.3363 1.1080 0.8797 NA 1.3340 0.7436
TG (42:2) [M+Na]+ 0.1223 1.1502 0.8280 0.0578 1.2214 0.8598 NA 1.3597 0.9515
TG (42:2) [M+NH4]+ 0.0588 1.1754 0.8508 0.0498 1.2431 0.8619 0.0436 1.4697 0.9593
TG (42:3) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (42:3) [M+Na]+ 0.1727 0.4462 0.2880 0.1661 1.6002 1.3084 NA 0.9381 1.1284
TG (42:3) [M+NH4]+ 0.2233 0.3875 0.3500 0.1846 1.6440 1.5729 NA 0.7426 0.5947
TG (44:0) [M+K]+ 0.3102 1.4053 0.5300 0.3102 0.8903 1.0557 NA 1.2114 0.9566
TG (44:0) [M+Na]+ 0.2388 1.4058 1.0826 0.2724 1.4369 1.0793 0.3569 1.5710 1.0644
TG (44:0) [M+NH4]+ 0.1813 1.5459 1.1780 0.1628 1.4290 1.1473 0.2403 1.6097 1.0009
TG (44:1) [M+K]+ 0.4157 1.5992 1.4430 0.4645 0.7043 0.5858 0.4238 1.3681 0.9569
TG (44:1) [M+Na]+ 0.3122 1.6809 1.4143 0.2238 1.0750 0.8776 0.3470 1.5277 0.9834
TG (44:1) [M+NH4]+ 0.2066 1.6287 1.3556 0.1599 1.2831 1.0786 0.2445 1.5372 1.0162
TG (44:2) [M+K]+ 0.4402 0.9068 0.8026 0.4721 0.9546 1.2602 0.3088 1.3844 1.0117
TG (44:2) [M+Na]+ 0.1589 1.5071 1.0967 0.1787 1.2847 1.0175 0.0927 1.5942 0.8311
TG (44:2) [M+NH4]+ 0.1307 1.3955 1.1509 0.1382 1.3251 1.1024 0.0901 1.4769 0.9439
TG (46:0) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (46:0) [M+Na]+ 0.5280 1.1873 1.0311 0.5415 1.1957 0.9979 0.9612 1.5036 1.3421
TG (46:0) [M+NH4]+ 0.5123 1.2378 1.0722 0.4840 1.2201 1.0735 0.8791 1.4737 1.1584
TG (46:1) [M+K]+ 0.2864 1.4597 1.2531 0.3428 1.1566 0.9600 0.3652 1.5581 1.1464
TG (46:1) [M+Na]+ 0.2932 1.5978 1.3891 0.2617 1.1620 0.9619 0.3854 1.5597 1.0042
TG (46:1) [M+NH4]+ 0.2357 1.6851 1.4684 0.2174 1.1395 1.0517 0.2348 1.5253 0.8878
TG (46:2) [M+K]+ 0.2407 1.5240 1.2213 0.3092 1.1740 1.0290 0.1812 1.5322 0.7553
TG (46:2) [M+Na]+ 0.1785 1.5644 1.3220 0.1530 1.3808 0.9999 0.1245 1.6292 1.1276
TG (46:2) [M+NH4]+ 0.1700 1.4422 1.2437 0.1385 1.4854 1.2006 0.1250 1.4701 1.0610
TG (46:3) A [M+K]+ NA NA NA NA NA NA NA NA NA
TG (46:3) A [M+Na]+ 0.2479 1.7488 1.7681 0.2453 1.0839 0.8452 0.1927 0.9467 1.0764
TG (46:3) A [M+NH4]+ 0.1989 1.9324 1.5957 0.2781 0.9375 0.8315 0.1787 1.1940 1.2189
TG (46:3) B [M+K]+ NA 0.4938 0.2390 0.1979 1.0132 1.1368 NA 0.9183 1.8718
TG (46:3) B [M+Na]+ 0.1319 0.4054 0.3449 0.0896 2.0783 1.7382 0.0694 1.4012 1.5475
TG (46:3) B [M+NH4]+ 0.1176 0.5765 0.4714 0.1168 2.1954 1.8602 0.1179 1.3287 1.4199
TG (46:4) A [M+K]+ NA NA NA NA NA NA NA NA NA
TG (46:4) A [M+Na]+ 0.9010 1.1821 1.0321 0.4148 1.1596 0.7115 NA 1.1403 0.8489
TG (46:4) A [M+NH4]+ 0.6655 1.1894 0.9951 0.3900 1.1623 1.0471 NA 0.9621 0.6105
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]+ NA NA NA NA NA NA NA NA NA
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]+ NA NA NA NA NA NA NA NA NA
TG (48:0) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (48:0) [M+Na]+ 0.7278 1.0187 1.0259 0.6551 1.1598 1.0915 1.6362 1.3090 1.0360
TG (48:0) [M+NH4]+ 0.6596 1.1224 1.0450 0.6180 1.1043 1.1057 1.0950 1.3578 1.1684
TG (48:1) [M+K]+ 0.7066 1.1751 1.0764 0.6644 1.0362 1.0556 0.8922 1.2193 1.3299
TG (48:1) [M+Na]+ 0.7095 1.1746 1.1077 0.7105 1.0359 0.9220 0.8489 1.3381 1.2689
TG (48:1) [M+NH4]+ 0.7449 1.2445 1.1683 0.7265 0.9845 0.9835 0.8028 1.3034 0.9412
TG (48:2) [M+K]+ 0.5247 1.3452 1.2674 0.6228 1.0267 0.9214 0.6919 1.3343 1.1919
TG (48:2) [M+Na]+ 0.5879 1.3615 1.2436 0.5970 1.0292 0.9411 0.5994 1.3801 1.0757
TG (48:2) [M+NH4]+ 0.5316 1.4694 1.3242 0.4622 1.0449 1.0322 0.3551 1.3224 1.0085
TG (48:3) [M+K]+ 0.3417 1.6202 1.4529 0.2985 1.1121 1.0434 0.1947 1.5074 0.7714
TG (48:3) [M+Na]+ 0.2951 1.6004 1.4568 0.2683 1.1671 1.0181 0.2274 1.4406 0.9913
TG (48:3) [M+NH4]+ 0.2238 1.6206 1.4344 0.1932 1.2466 1.0872 0.1382 1.4201 0.9447
TG (48:4) A [M+K]+ NA NA NA NA NA NA NA NA NA
TG (48:4) A [M+Na]+ 0.1222 1.4451 1.2720 0.1116 1.4336 1.1886 0.0770 1.5202 1.1337
TG (48:4) A [M+NH4]+ 0.1266 1.3874 1.1706 0.0946 1.5355 1.1864 0.0469 1.4865 1.1426
TG (48:4) B [M+K]+ 0.3034 1.3248 1.1091 0.1867 1.1152 0.9107 NA 1.2382 1.1698
TG (48:4) B [M+Na]+ 0.1666 0.5250 0.8186 0.1594 1.6997 1.6861 0.1303 1.2053 1.4025
TG (48:4) B [M+NH4]+ 0.1644 1.1025 0.8440 0.1651 1.6626 1.9748 0.1695 1.4202 0.2980
TG (48:5) [M+K]+ 0.2514 0.3242 0.2607 0.1925 1.6990 1.3367 NA 1.1215 1.3245
TG (48:5) [M+Na]+ 0.0740 0.4474 0.3132 0.0610 2.0371 1.6349 NA 1.3352 1.5368
TG (48:5) [M+NH4]+ 0.0785 0.3227 0.2507 0.0436 2.1455 1.6669 0.0356 1.2743 1.3374
TG (48:6) [M+K]+ NA NA NA NA 1.5107 0.3372 NA 0.6957 0.3318
TG (48:6) [M+Na]+ 0.1567 0.1638 0.2409 0.1485 1.4773 1.1610 NA 0.7812 1.2270
TG (48:6) [M+NH4]+ 0.0999 0.1676 0.1434 0.0886 1.5040 1.2554 NA 0.8359 0.8700
TG (49:0) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (49:0) [M+Na]+ 1.2571 0.5253 0.7583 0.9256 0.7650 1.2228 0.4310 1.4846 0.9937
TG (49:0) [M+NH4]+ 0.9174 1.1313 0.9744 0.7882 1.3932 0.6001 0.7938 0.8788 1.5635
TG (49:1) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (49:1) [M+Na]+ 1.0397 1.1479 0.9466 0.9799 0.9518 0.8263 0.6866 1.1705 1.0709
TG (49:1) [M+NH4]+ 0.9513 1.0413 0.9596 0.9774 1.0257 0.9346 0.5671 1.1149 1.1468
TG (49:2) [M+K]+ 1.9483 1.3338 1.2067 0.5063 0.9672 0.6285 NA 0.3724 0.6471
TG (49:2) [M+Na]+ 1.0502 1.2428 1.1012 1.0901 0.8283 0.7137 0.8525 1.1542 0.8189
TG (49:2) [M+NH4]+ 0.9364 1.1409 0.9506 0.9297 1.0299 0.8819 0.4183 1.1837 1.1334
TG (49:3) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (49:3) [M+Na]+ 1.0276 1.2946 1.2419 0.9187 0.6791 0.6788 0.5022 1.1846 1.5204
TG (49:3) [M+NH4]+ 0.7824 1.1436 0.9962 0.7895 1.1643 1.0241 0.3942 0.9734 1.3607
TG (50:0) [M+K]+ 1.0165 0.9670 0.8168 0.4835 0.8264 1.7934 0.3516 1.1511 0.5275
TG (50:0) [M+Na]+ 0.7267 1.0381 0.9246 0.7471 1.0668 1.0611 1.4989 1.3067 1.3365
TG (50:0) [M+NH4]+ 0.6267 1.1829 1.0144 0.6440 1.1740 1.0689 0.9188 1.3123 1.1487
TG (50:1) [M+K]+ 0.9640 0.9661 0.9817 0.9745 1.0770 0.8462 1.5883 1.0983 1.1363
TG (50:1) [M+Na]+ 0.9572 1.0184 0.9392 0.9380 1.0208 0.9786 0.9975 1.1627 1.0644
TG (50:1) [M+NH4]+ 0.7981 1.1558 1.0669 0.8103 1.0369 0.9362 0.9008 1.2381 1.0976
TG (50:2) [M+K]+ 0.7056 0.9895 0.9745 0.8383 1.0453 0.9189 1.1257 1.2239 1.7342
TG (50:2) [M+Na]+ 0.9271 1.1050 1.0004 0.8873 1.0542 0.8752 1.0066 1.1579 1.1003
TG (50:2) [M+NH4]+ 0.8507 1.1299 1.0443 0.8474 1.0425 0.9196 0.8314 1.2039 1.0970
TG (50:3) A [M+K]+ 0.9012 1.0889 1.0412 0.8920 0.9567 0.9718 0.8945 1.1207 1.1726
TG (50:3) A [M+Na]+ 0.8547 1.1145 1.0848 0.8513 1.0168 0.9505 0.7986 1.1947 1.0393
TG (50:3) A [M+NH4]+ 0.7367 1.2097 1.1773 0.6877 1.0390 1.0147 0.4884 1.1903 1.1383
TG (50:3) B [M+K]+ NA NA NA NA NA NA NA NA NA
TG (50:3) B [M+Na]+ 0.7193 0.5087 0.4863 0.4613 2.0144 2.1260 0.5775 0.8067 0.2436
TG (50:3) B [M+NH4]+ 0.6569 1.0805 1.0066 0.6437 1.1279 1.1492 0.6928 1.2027 1.3725
TG (50:4) [M+K]+ 0.5994 1.2079 1.1651 0.5777 1.0935 1.1667 0.5505 1.1327 1.3027
TG (50:4) [M+Na]+ 0.6490 1.1751 1.1524 0.6009 1.1017 1.1087 0.4721 1.2672 1.1670
TG (50:4) [M+NH4]+ 0.6222 1.2395 1.1909 0.5528 1.1117 1.2026 0.2955 1.1356 1.1245
TG (50:5) [M+K]+ 0.4572 0.6407 0.5570 0.4928 1.6811 1.6800 0.3884 0.9263 1.0275
TG (50:5) [M+Na]+ 0.6165 1.0248 0.9413 0.5445 1.3786 1.4956 0.2183 1.0296 0.9778
TG (50:5) [M+NH4]+ 0.6531 1.1967 0.9076 0.5198 1.2457 1.5172 0.1051 0.9750 0.8888
TG (50:6) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (50:6) [M+Na]+ 0.2622 0.4808 0.5424 0.3070 1.7190 1.7537 0.1630 1.1098 0.7383
TG (50:6) [M+NH4]+ 0.3645 0.5384 0.5135 0.2529 1.6515 1.6157 0.1360 1.1024 1.3236
TG (51:1) [M+K]+ 0.9959 1.2403 1.3234 0.9733 0.8082 0.7098 1.1820 0.9193 0.9959
TG (51:1) [M+Na]+ 0.7948 1.0973 0.9315 0.9940 1.0163 0.8572 0.3842 1.1906 1.4816
TG (51:1) [M+NH4]+ 0.7829 1.1441 0.9861 0.9050 1.1795 0.9048 0.6342 1.1708 1.0141
TG (51:2) [M+K]+ 1.2792 0.9648 1.0265 1.1712 0.7960 0.8875 0.4977 0.8137 1.0529
TG (51:2) [M+Na]+ 1.0836 1.1440 0.9917 1.0876 0.9395 0.8062 0.5927 1.0747 0.8974
TG (51:2) [M+NH4]+ 0.9811 1.1033 0.9626 0.9718 1.0455 0.8918 0.5296 1.1231 1.0155
TG (51:3) [M+K]+ 0.7948 1.1632 1.1604 1.2431 0.8207 0.8202 0.8217 1.0540 0.9454
TG (51:3) [M+Na]+ 1.0231 1.2472 1.0884 0.9973 0.9374 0.7634 0.4926 1.1029 0.8939
TG (51:3) [M+NH4]+ 0.8952 1.0973 0.9927 0.8337 1.0791 1.0253 0.4294 1.1393 1.0710
TG (51:4) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (51:4) [M+Na]+ 0.8895 1.0679 1.1307 0.9334 0.9760 0.9271 0.4320 0.9587 1.3590
TG (51:4) [M+NH4]+ 0.7644 1.0871 1.0327 0.8322 1.1437 1.1049 0.2749 1.0804 1.0615
TG (51:5) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (51:5) [M+Na]+ 0.7995 1.1176 1.2438 0.9475 0.8925 1.2390 0.5075 0.8231 0.8511
TG (51:5) [M+NH4]+ NA NA NA NA NA NA NA NA NA
TG (52:0) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (52:0) [M+Na]+ 0.7625 1.1538 0.9171 0.7679 1.0288 1.0077 1.4938 1.3906 1.0245
TG (52:0) [M+NH4]+ 0.6599 1.2611 0.9365 0.6499 1.1471 0.9940 0.9407 1.3488 1.2334
TG (52:1) [M+K]+ 0.8154 1.0848 1.0459 0.8745 1.0369 0.9237 1.2066 1.3329 0.9300
TG (52:1) [M+Na]+ 0.8197 1.1648 1.0153 0.8647 1.0821 0.9112 1.0485 1.2441 0.9372
TG (52:1) [M+NH4]+ 0.6302 1.2764 1.0368 0.6757 1.1743 0.9785 0.7453 1.3481 1.0193
TG (52:2) [M+K]+ 1.3158 0.9528 0.9054 1.2494 1.1370 0.5851 1.2631 0.8061 0.6840
TG (52:2) [M+Na]+ 1.0749 0.9999 1.0047 1.0655 0.9990 0.9176 1.0814 0.9922 0.8759
TG (52:2) [M+NH4]+ 0.9500 1.1201 1.0850 0.9388 1.0043 0.8777 0.7432 1.1359 0.9316
TG (52:3) [M+K]+ 1.0916 0.8912 0.9555 1.1121 1.0430 0.9355 1.2486 0.9372 0.9690
TG (52:3) [M+Na]+ 1.0802 0.9547 1.0119 1.0566 0.9936 0.9546 1.0971 0.9880 0.8941
TG (52:3) [M+NH4]+ 0.8830 1.0964 1.1142 0.8362 1.0074 0.9796 0.5007 1.1784 1.0341
TG (52:4) [M+K]+ 0.9462 0.9985 0.9940 0.9787 1.0237 1.0257 0.9707 1.0099 1.0515
TG (52:4) [M+Na]+ 0.9197 0.9989 1.0352 0.9353 1.0207 1.0128 0.8823 1.1162 1.0102
TG (52:4) [M+NH4]+ 0.6735 1.1098 1.0868 0.7260 1.1243 1.1156 0.4825 1.2030 1.1343
TG (52:5) [M+K]+ 1.0277 1.0477 0.9129 0.9612 0.8590 1.1440 0.8785 1.0897 1.0014
TG (52:5) [M+Na]+ 0.5851 0.7774 0.7854 0.6143 1.4590 1.5822 0.4545 1.2392 1.0122
TG (52:5) [M+NH4]+ 0.4517 0.7238 0.6901 0.4465 1.6707 1.8454 0.2462 1.0690 1.1983
TG (52:6) [M+K]+ 0.6410 0.5281 0.3987 0.4776 1.9881 1.2673 0.2573 0.6893 1.5624
TG (52:6) [M+Na]+ 0.3820 0.4667 0.5085 0.3658 1.8553 1.7981 0.3655 1.3960 1.4510
TG (52:6) [M+NH4]+ 0.3010 0.3930 0.4087 0.2132 2.0574 2.0279 0.1634 1.3259 1.5462
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]+ NA NA NA NA NA NA NA NA NA
TG (53:1) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (53:1) [M+Na]+ 0.9066 1.2455 1.0882 0.9230 0.8182 0.9536 0.8780 1.0198 1.1825
TG (53:1) [M+NH4]+ 1.2272 0.8148 1.1073 1.1301 0.8325 1.1038 0.7848 0.7165 1.0952
TG (53:2) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (53:2) [M+Na]+ 1.0288 1.2193 0.9677 1.0271 0.9742 0.7949 0.4870 1.1539 0.8886
TG (53:2) [M+NH4]+ 0.9717 1.1364 1.0127 0.9774 1.0127 0.9175 0.6520 1.1272 0.8405
TG (53:3) [M+K]+ 1.0940 1.1252 0.9409 0.8046 0.9824 0.9387 0.6247 0.9816 1.3863
TG (53:3) [M+Na]+ 0.9777 1.1442 1.0691 1.0001 1.0053 0.9051 0.6294 1.0670 0.7884
TG (53:3) [M+NH4]+ 0.9209 1.1564 1.0103 0.8957 1.0982 0.9667 0.4826 1.1140 0.8438
TG (53:4) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (53:4) [M+Na]+ 0.8744 1.1343 1.0498 0.8918 0.9868 0.9998 0.6938 1.1362 1.0077
TG (53:4) [M+NH4]+ 0.8317 1.1634 1.1117 0.8094 0.9924 0.9942 0.3524 1.2161 1.0407
TG (54:0) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (54:0) [M+Na]+ 1.4163 0.8450 0.6568 0.5134 0.9584 1.0996 NA 1.7457 0.9969
TG (54:0) [M+NH4]+ 0.4959 1.0135 0.8470 0.7715 1.0731 1.2940 1.8954 1.5071 0.9541
TG (54:1) [M+K]+ 0.5324 1.5676 1.3597 0.5419 0.9207 1.0117 NA 1.4320 1.1563
TG (54:1) [M+Na]+ 0.5922 1.4536 1.0415 0.5786 1.2313 0.9209 0.7823 1.2975 1.0147
TG (54:1) [M+NH4]+ 0.4158 1.3314 1.0397 0.4914 1.3860 1.0388 0.6253 1.3706 1.1295
TG (54:2) [M+K]+ 0.6517 1.2549 1.1367 0.7799 1.0521 0.8629 0.7988 1.2631 1.2300
TG (54:2) [M+Na]+ 0.7751 1.3433 1.1564 0.7621 1.0625 0.8539 0.7423 1.2357 0.8558
TG (54:2) [M+NH4]+ 0.5893 1.4193 1.1532 0.6320 1.1649 0.9336 0.5856 1.2978 0.9055
TG (54:3) [M+K]+ 0.7455 1.3358 1.1694 0.7570 1.0670 0.9774 0.5911 1.0464 0.9477
TG (54:3) [M+Na]+ 0.7828 1.2803 1.1601 0.7947 1.0757 0.9237 0.8165 1.1301 0.8481
TG (54:3) [M+NH4]+ 0.7357 1.4221 1.2601 0.7230 1.0332 0.8567 0.6270 1.2020 0.7874
TG (54:4) [M+K]+ 0.7484 1.2845 1.1466 0.7869 1.0627 1.0522 0.9392 1.1364 0.6645
TG (54:4) [M+Na]+ 0.7896 1.2464 1.1878 0.7946 1.0382 0.9614 0.7904 1.1546 0.8152
TG (54:4) [M+NH4]+ 0.5906 1.5077 1.3527 0.6060 1.0206 0.8845 0.5017 1.2916 0.8359
TG (54:5) A [M+K]+ 0.5210 1.5082 1.5331 0.5162 0.8900 0.8806 0.6877 1.2164 1.1345
TG (54:5) A [M+Na]+ 0.5646 1.3518 1.2505 0.6011 1.1317 0.9935 0.5792 1.2667 0.9525
TG (54:5) A [M+NH4]+ 0.4258 1.4469 1.2786 0.4631 1.1805 1.0209 0.3572 1.3867 0.9840
TG (54:5) B [M+K]+ 0.5979 1.1373 1.2307 0.6282 1.0915 0.9565 1.4555 0.8561 1.4212
TG (54:5) B [M+Na]+ 0.8217 1.0101 1.0614 0.8321 1.2103 1.1312 0.9041 1.1913 0.5638
TG (54:5) B [M+NH4]+ 0.8275 1.0869 1.1223 0.8128 0.9749 1.0336 0.6252 1.2007 1.0938
TG (54:6) A [M+K]+ 0.4566 1.2654 0.9892 0.4296 1.5042 1.2632 0.3430 0.9934 1.2856
TG (54:6) A [M+Na]+ 0.3971 1.1927 1.0645 0.4720 1.3732 1.2603 0.3703 1.3075 1.1240
TG (54:6) A [M+NH4]+ 0.4167 1.5367 1.3236 0.4716 1.1130 0.8470 0.2742 1.6076 0.9300
TG (54:6) B [M+K]+ 0.4273 0.4881 0.5232 0.4174 1.6281 1.5541 0.3692 1.5063 2.0010
TG (54:6) B [M+Na]+ NA NA NA NA NA NA NA NA NA
TG (54:6) B [M+NH4]+ 0.1895 0.6435 0.5544 0.2384 2.1957 1.9300 0.1865 0.9089 1.5234
TG (54:6) C [M+K]+ NA NA NA NA NA NA NA NA NA
TG (54:6) C [M+Na]+ NA NA NA NA NA NA NA NA NA
TG (54:6) C [M+NH4]+ 0.9112 1.1124 1.2860 0.9357 0.9341 1.1768 0.5481 1.1503 0.1591
TG (54:7) A [M+K]+ 0.2157 0.5568 0.5166 0.3087 1.9569 1.6921 0.2231 1.5323 1.2591
TG (54:7) A [M+Na]+ 0.4133 1.0802 0.8967 0.3913 1.7069 1.3614 0.3232 1.2576 0.5945
TG (54:7) A [M+NH4]+ 0.1515 0.3889 0.3346 0.1747 2.4359 1.8781 0.0798 1.3822 1.5857
TG (54:7) B [M+K]+ 0.2055 0.2676 0.2818 0.2159 1.9084 1.4697 0.1904 1.4116 1.7422
TG (54:7) B [M+Na]+ 0.4660 0.4337 0.4427 0.4545 1.8727 1.8904 0.3143 1.0557 1.6901
TG (54:7) B [M+NH4]+ NA NA NA NA NA NA NA NA NA
TG (54:8) [M+K]+ 0.1691 0.1637 0.1382 0.1202 1.6085 1.6959 NA 1.0833 1.5050
TG (54:8) [M+Na]+ 0.0589 0.0589 0.0637 0.0428 2.0513 2.0635 0.0383 1.2984 1.5698
TG (54:8) [M+NH4]+ 0.0493 0.0429 0.0519 0.0436 2.2642 2.2326 0.0458 1.3327 1.5860
TG (54:9) [M+K]+ NA NA 0.1615 0.3084 1.0132 1.1417 NA 0.7673 1.1380
TG (54:9) [M+Na]+ 0.0830 0.0964 0.0827 0.0826 1.3001 1.6016 NA 0.8831 0.9290
TG (54:9) [M+NH4]+ 0.0580 0.0648 0.0610 0.0620 1.3411 1.5947 NA 0.7497 0.7235
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]+ 0.3182 1.5256 0.7006 0.8692 0.3926 0.3135 NA 1.5403 0.4607
TG (55:2) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (55:2) [M+Na]+ NA NA NA NA NA NA NA NA NA
TG (55:2) [M+NH4]+ 0.0393 0.5762 0.7255 2.2089 NA 0.9167 NA 0.7203 NA
TG (55:3) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (55:3) [M+Na]+ NA NA NA 0.2468 1.9747 0.7785 NA NA NA
TG (55:3) [M+NH4]+ 0.2818 0.9888 0.6567 0.7045 1.4327 1.6883 0.2264 1.3549 0.8039
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]+ 0.2528 NA 0.7303 NA 0.8193 1.9312 NA 0.3090 0.5337
TG (56:10) [M+NH4]+ 0.4655 0.4024 0.4169 0.4583 1.1896 1.5034 NA 0.8352 0.7936
TG (56:1) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (56:1) [M+Na]+ 0.2575 1.5589 1.1191 0.2078 1.2841 0.8998 0.4639 1.4188 0.7718
TG (56:1) [M+NH4]+ 0.1662 1.4569 1.1921 0.2131 1.4856 1.0197 0.2992 1.5022 0.8112
TG (56:2) [M+K]+ NA 1.2320 0.4044 NA 3.0564 NA NA NA 0.4514
TG (56:2) [M+Na]+ 0.2272 1.1990 0.9389 0.2844 1.6439 1.3447 0.5501 1.5030 0.9333
TG (56:2) [M+NH4]+ 0.2340 1.0775 0.9533 0.2256 1.7641 1.3450 0.3468 1.4250 1.2226
TG (56:3) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (56:3) [M+Na]+ 0.4044 0.8896 0.8036 0.3946 1.6527 1.4077 0.4250 1.4457 1.2503
TG (56:3) [M+NH4]+ 0.3127 0.8266 0.7317 0.3046 1.9061 1.4227 0.2599 1.4940 1.2717
TG (56:4) [M+K]+ 1.0139 1.1484 1.1885 1.1718 0.9272 0.6315 0.6257 1.0282 0.9151
TG (56:4) [M+Na]+ 0.6043 0.8776 0.8814 0.4986 1.6041 1.3130 0.3190 1.2360 1.1412
TG (56:4) [M+NH4]+ 0.4349 0.7058 0.6865 0.4439 1.8663 1.4043 0.2638 1.3988 1.3228
TG (56:5) A [M+K]+ 1.2785 0.8373 1.0866 1.0023 1.2177 0.8471 0.2402 1.0292 0.3120
TG (56:5) A [M+Na]+ 0.6105 0.6765 0.8998 0.7652 1.4977 1.6652 0.4897 1.0707 0.5875
TG (56:5) A [M+NH4]+ 0.4469 0.7609 0.8031 0.5066 1.7082 1.4925 0.4272 1.3005 1.0860
TG (56:5) B [M+K]+ NA NA NA NA NA NA NA NA NA
TG (56:5) B [M+Na]+ 0.5884 0.7749 0.7985 0.6419 1.4744 1.4388 0.4459 1.4507 0.8898
TG (56:5) B [M+NH4]+ 0.6429 0.7755 0.7026 0.7102 1.7165 1.4046 0.4575 0.9287 1.0866
TG (56:5) C [M+K]+ 0.5572 1.1611 1.2781 0.7802 1.2621 1.1225 NA 0.8862 0.4825
TG (56:5) C [M+Na]+ 0.8782 1.0199 1.0799 0.8964 1.0798 1.0621 0.7965 1.1804 0.7298
TG (56:5) C [M+NH4]+ 0.8693 1.1487 1.1329 0.8929 1.0274 0.9366 0.6104 1.1761 0.8267
TG (56:6) [M+K]+ 0.8673 1.1332 0.9173 1.0174 0.9516 0.9158 0.7776 1.0584 1.3420
TG (56:6) [M+Na]+ 0.9565 1.0675 1.0331 0.9159 1.0621 0.9114 0.5749 1.1531 0.9842
TG (56:6) [M+NH4]+ 0.8410 1.1340 1.1026 0.8959 1.0123 0.9898 0.6283 1.1257 0.9546
TG (56:7) A [M+K]+ 1.5700 0.7705 1.3230 0.9283 0.7573 1.1692 1.1270 1.0701 0.7350
TG (56:7) A [M+Na]+ 0.8794 0.9876 1.0435 0.8833 1.0172 1.1390 0.7633 1.0805 1.0188
TG (56:7) A [M+NH4]+ 0.6857 1.1220 1.1228 0.7347 1.0990 1.1512 0.5394 1.1441 1.0482
TG (56:7) B [M+K]+ NA NA NA NA NA NA NA NA NA
TG (56:7) B [M+Na]+ 1.0970 1.0965 1.0465 1.0052 0.9423 0.7830 0.5080 1.1493 0.9873
TG (56:7) B [M+NH4]+ 0.9099 1.0435 1.0463 0.8906 1.0775 0.9639 0.5815 1.2003 0.9332
TG (56:8) A [M+K]+ NA NA NA NA NA NA NA NA NA
TG (56:8) A [M+Na]+ 0.7257 1.0814 1.0235 0.7577 1.1700 1.3504 0.6721 0.6018 1.4419
TG (56:8) A [M+NH4]+ 0.6664 1.2970 1.1597 0.7334 1.0377 1.2667 0.5588 0.9167 0.8572
TG (56:8) B [M+K]+ NA NA NA NA NA NA NA NA NA
TG (56:8) B [M+Na]+ 0.8972 1.0882 1.2090 0.9736 0.9000 0.8239 0.3735 1.2365 1.0474
TG (56:8) B [M+NH4]+ 0.7121 1.0132 1.0290 0.7242 1.1911 1.1368 0.3080 1.2758 1.1018
TG (56:9) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (56:9) [M+Na]+ 0.5859 0.6293 0.6427 0.6119 1.4603 2.1000 0.4174 0.9096 0.9576
TG (56:9) [M+NH4]+ 0.5093 0.5130 0.6235 0.4927 1.8134 1.9686 0.2182 0.9193 0.8143
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 1.0000 NA
TG (57:1) [M+NH4]+ NA NA NA NA NA NA NA NA NA
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]+ 0.3587 1.7036 1.2428 0.6974 0.6077 0.3288 0.3587 1.3798 0.8917
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]+ 1.1170 0.9958 1.5043 0.5251 0.9641 0.8417 NA 1.4356 0.7244
TG (58:10) [M+NH4]+ 0.8639 1.6564 0.8166 0.5279 0.9282 1.8759 0.2447 0.5316 0.2266
TG (58:1) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (58:1) [M+Na]+ 0.5802 1.4941 0.9408 0.6334 0.7651 0.7525 NA 1.3960 1.0312
TG (58:1) [M+NH4]+ 0.2594 1.7200 1.5393 0.2533 0.8689 0.7468 0.3309 1.4201 0.8721
TG (58:2) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (58:2) [M+Na]+ 0.1504 1.1059 0.7889 0.1680 1.6925 1.2973 0.3172 1.5791 1.3426
TG (58:2) [M+NH4]+ 0.1872 0.9903 0.8895 0.1407 1.8318 1.4637 0.2987 1.4605 1.2748
TG (58:3) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (58:3) [M+Na]+ 0.1986 0.8042 0.6575 0.2214 2.0096 1.5577 0.1801 1.4091 1.1788
TG (58:3) [M+NH4]+ 0.1773 0.7181 0.5847 0.1569 2.0377 1.5872 0.2726 1.3532 1.4077
TG (58:4) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (58:4) [M+Na]+ 0.2304 0.3081 0.3018 0.1965 2.0649 1.4792 0.3514 0.8859 1.7055
TG (58:4) [M+NH4]+ 0.1202 0.1669 0.1801 0.1240 2.2736 1.6320 0.0849 1.3231 1.2657
TG (58:5) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (58:5) [M+Na]+ 0.3875 0.3305 0.4130 0.4106 1.6276 1.5081 0.5062 1.4995 1.2849
TG (58:5) [M+NH4]+ 0.2340 0.3378 0.3170 0.2471 1.8865 1.5248 0.4216 1.2141 2.1017
TG (58:6) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (58:6) [M+Na]+ 0.4190 0.5128 0.4732 0.5071 2.0760 1.5978 0.6341 1.2219 1.3324
TG (58:6) [M+NH4]+ 0.4250 0.5256 0.4808 0.5510 2.0190 1.5266 0.4158 1.4818 1.1190
TG (58:8) [M+K]+ 4.3756 NA 0.6722 0.4086 0.3822 NA NA NA NA
TG (58:8) [M+Na]+ 1.2481 1.4476 1.3090 0.9268 0.8437 0.5552 0.2345 1.0404 0.5696
TG (58:8) [M+NH4]+ 0.7761 1.1136 1.0903 0.9380 1.0070 0.9428 0.5743 1.3356 0.8689
TG (58:9) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (58:9) [M+Na]+ 0.8846 1.3212 1.2638 0.8566 0.9051 0.7272 1.1832 1.0513 1.0937
TG (58:9) [M+NH4]+ 0.6716 0.9868 1.0542 0.6937 1.1703 1.2548 0.4766 1.2926 0.9792
TG (59:2) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (59:2) [M+Na]+ NA NA NA NA NA NA NA NA NA
TG (59:2) [M+NH4]+ NA NA NA NA NA NA NA NA NA
TG (59:3) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (59:3) [M+Na]+ 1.9207 NA NA NA 0.0793 NA NA NA NA
TG (59:3) [M+NH4]+ 0.6477 0.7976 1.6869 NA 0.9223 0.7268 NA 1.9123 0.8240
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 1.0000 NA NA
TG (60:2) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (60:2) [M+Na]+ 0.2432 1.5042 0.7900 0.7747 0.9339 0.7830 1.2957 1.3713 1.2377
TG (60:2) [M+NH4]+ 0.1119 1.3690 0.9197 0.0915 1.7351 0.9063 0.4205 1.4573 1.5243
TG (60:3) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (60:3) [M+Na]+ 0.3178 0.6729 0.4517 0.1683 1.8670 1.4860 0.1085 0.9395 1.7079
TG (60:3) [M+NH4]+ 0.1389 0.6505 0.5306 0.1136 2.1113 1.5196 0.0838 1.3059 1.5650
TG (60:4) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (60:4) [M+Na]+ 0.1946 0.3030 0.2112 0.2285 1.5296 1.3648 0.1904 1.0885 1.2804
TG (60:4) [M+NH4]+ 0.1483 0.1399 0.2009 0.1393 2.2256 1.4346 0.1341 0.8007 1.5384
TG (60:5) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (60:5) [M+Na]+ NA NA NA NA 1.1230 0.9721 NA 0.8741 0.9433
TG (60:5) [M+NH4]+ 0.2545 0.1848 0.2751 0.2424 1.2812 1.0470 NA 0.8770 1.2221
TG (60:6) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (60:6) [M+Na]+ NA 0.3255 0.2652 NA 1.4106 0.7144 NA 1.0682 1.1574
TG (60:6) [M+NH4]+ NA 0.2902 0.2237 0.1871 1.3506 1.2820 NA 0.7827 0.4870
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 1.0000 NA
TG (62:2) [M+Na]+ NA NA NA NA NA NA NA NA NA
TG (62:2) [M+NH4]+ 1.1398 0.9986 0.9529 1.1221 0.9680 0.9841 1.1840 0.9101 0.7524
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]+ 0.4925 0.5824 0.6726 0.2324 1.8864 1.2324 0.2145 0.6713 0.6625
TG (62:4) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (62:4) [M+Na]+ NA NA NA NA NA NA NA NA NA
TG (62:4) [M+NH4]+ NA 0.2319 0.3135 NA 1.3752 0.6785 0.3092 1.3205 1.0779
TG (64:2) [M+K]+ NA NA NA NA NA NA NA NA NA
TG (64:2) [M+Na]+ NA NA NA NA NA NA NA NA NA
TG (64:2) [M+NH4]+ 1.0365 1.0179 1.0675 1.0019 0.9964 0.9887 1.0589 0.9899 0.7880
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]+ NA NA NA NA NA NA NA NA NA
Run Hierarchial cluster analysis on this study | Run Heatmap cluster analysis on this study

Factors:

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