Data for Prenatal exposures and Metabolite and Lipid Profiles (Study ST000523)
(Analysis AN000798)Values for each metabolite have been scaled by dividing by the mean across all factors Cluster analysis cannot be performed on this study (too few factors)| Metabolite | ||||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| 1,3,7-TRIMETHYLURIC ACID (M+H)+ | 0.3441 | 0.8062 | 1.1615 | 1.1240 | NA | 1.0574 | 1.0013 | 0.8320 | 0.8844 | NA |
| 16:0-18:0 PC (M+H)+ | 1.7198 | 1.1164 | 0.7935 | 0.9774 | NA | 1.0159 | 0.5549 | 0.8028 | 0.8709 | NA |
| 16:0 LYSO PC (M+H)+ | 1.2612 | 1.0319 | 0.8808 | 1.1118 | NA | 0.9319 | 0.6834 | 0.7537 | 0.9291 | NA |
| 18:0 LYSO-PE (M+H)+ | 0.7858 | 0.8863 | 0.8918 | 1.3637 | NA | 0.8345 | 0.6732 | 0.8456 | NA | NA |
| 1-METHYLADENOSINE (M+H)+ | 0.9249 | 0.7199 | 1.4941 | 0.8614 | NA | 1.4649 | 0.8617 | 0.8959 | 0.8589 | NA |
| 1-METHYLXANTHINE (M+H)+ | 0.8916 | 0.9785 | 1.1388 | 0.9063 | NA | 1.1177 | 1.0126 | 1.0098 | NA | NA |
| 1-METHYLXANTHINE (M+Na)+ | 1.0960 | 1.1185 | 0.9613 | 0.8493 | NA | 1.0258 | NA | 1.0106 | NA | NA |
| 20:0 LYSO PC (M+H)+ | 1.8013 | 1.3872 | 0.5594 | 1.2145 | NA | 0.5169 | 0.3518 | NA | NA | NA |
| 25-HYDROXYCHOLESTEROL (M+H)+[-H2O] | 1.3196 | 0.9748 | 0.7228 | 1.2433 | NA | 0.8117 | NA | 0.8646 | 0.9765 | NA |
| 2-HYDROXY-3-METHYLBUTYRIC ACID (M+Na)+ | 1.4801 | 0.5954 | 1.5731 | 0.8474 | NA | 1.3051 | 0.9120 | 0.9761 | 0.9171 | NA |
| 3-(4-HYDROXYPHENYL)LACTIC ACID (M+H)+ | NA | 0.5270 | 1.6278 | 0.6471 | NA | 1.6360 | 0.5637 | 0.5889 | NA | NA |
| 3-(4-HYDROXYPHENYL)LACTIC ACID (M+Na)+ | 1.3373 | 0.8602 | 1.1600 | 0.9525 | NA | 1.1494 | 0.9338 | 0.9721 | NA | NA |
| 3-AMINO-4-HYDROXYBENZOIC ACID (M+H)+ | NA | 1.0290 | 0.8706 | 1.1210 | NA | 0.9726 | 0.9161 | NA | NA | NA |
| 3-AMINOISOBUTYRIC ACID (M+H)+[-H2O] | 0.4498 | 0.4025 | 1.7872 | 0.8429 | NA | 1.5745 | NA | 1.0692 | NA | NA |
| 3-DEHYDROXYCARNITINE (M+H)+ | 1.7168 | 1.2364 | 0.6815 | 1.0253 | NA | 0.6270 | NA | 0.8968 | 0.8910 | NA |
| 3-HYDROXYBENZALDEHYDE (M+H)+[-H2O] | 0.8443 | 0.8559 | 1.1940 | 1.0338 | NA | 0.9992 | 1.0561 | 1.1522 | 1.0070 | NA |
| 3-HYDROXYLAUROYLCARNITINE (*) (M+H)+ | 0.9037 | 0.9539 | 1.1467 | 1.1191 | NA | 0.8944 | 0.7073 | NA | NA | NA |
| 3-METHOXYTYROSINE (M+H)+ | 0.8588 | 0.7434 | 1.4460 | 0.8208 | NA | 1.4736 | 0.8940 | 0.9472 | 0.8599 | NA |
| 3-METHYLXANTHINE (M+H)+ | 0.9062 | 0.9797 | 1.1266 | 0.9122 | NA | 1.1092 | 1.0123 | 1.0130 | NA | NA |
| 4-PYRIDOXIC ACID (M+Na)+ | 0.0993 | 1.0232 | 1.4518 | 0.5145 | NA | 1.6830 | 0.6672 | 0.6592 | 0.5115 | NA |
| 4-QUINOLINECARBOXYLIC ACID #2 (M+H)+ | 0.7640 | 1.1291 | 1.0263 | 0.9043 | NA | 1.0701 | 0.8639 | 0.8584 | NA | NA |
| 5-AMINOPENTANOIC ACID (M+H)+ | 1.1098 | 1.1742 | 0.9626 | 0.8746 | NA | 0.9728 | 1.0891 | 0.9468 | 0.8087 | NA |
| 5^-METHYLTHIOADENOSINE (M+H)+ | 0.1888 | 0.7422 | 1.4633 | 0.6878 | NA | 1.6300 | 1.0115 | 1.5346 | 1.5430 | NA |
| ACETAMINOPHEN (TN TYLENOL) (M+H)+ | 0.5686 | 0.3576 | 1.6603 | 0.4361 | NA | 1.9778 | 1.1143 | 1.0751 | 1.4621 | NA |
| ACETAMINOPHEN (TN TYLENOL) (M+Na)+ | 0.7992 | 0.2596 | 2.3340 | 0.2789 | NA | 2.7005 | 1.3630 | 1.6934 | 2.0323 | NA |
| ACETYLCARNITINE (M+H)+ | 0.5754 | 0.7642 | 1.8865 | 0.6773 | NA | 1.7784 | 0.5083 | 0.2101 | 0.5176 | NA |
| ADENOSINE 5^-MONOPHOSPHATE (M+H)+ | 0.3187 | 0.8958 | 1.4783 | 0.9515 | NA | 1.0998 | 0.8723 | 0.7873 | NA | NA |
| ADIPIC ACID (M+Na)+ | 0.5436 | 0.6223 | 1.5592 | 1.0180 | NA | 1.2472 | 0.9875 | 0.9323 | 1.0441 | NA |
| AHBA (M+H)+ | 1.0437 | 0.8025 | 1.0386 | 1.1270 | NA | 1.1056 | 0.9142 | 0.9697 | 0.9851 | NA |
| ALPHA-LINOLENIC ACID (M+Na)+ | 1.4581 | 0.9333 | 0.6194 | 1.3439 | NA | 0.5718 | 0.9816 | 1.1817 | 1.0204 | NA |
| ALPHA-TOCOPHEROL (M+H)+ | 1.2120 | 0.9216 | 1.1113 | 0.8237 | NA | 1.0602 | 1.3633 | 1.3538 | 1.1886 | NA |
| ASCORBIC ACID (M+H)+[-H2O] | 0.1189 | 0.6944 | 1.1479 | 1.0759 | NA | 1.1948 | 1.2790 | 1.2502 | 1.2428 | NA |
| BILIVERDIN (M+H)+ | 0.2625 | 0.4612 | 2.6578 | 0.3339 | NA | 2.1782 | 0.7118 | 0.6279 | 0.8945 | NA |
| BILIVERDIN (M+Na)+ | 0.2667 | 0.4461 | 2.4357 | 0.3627 | NA | 2.1178 | 0.6983 | 0.6651 | 0.7727 | NA |
| BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+H)+ | 11.4834 | 0.4306 | 0.6388 | 0.5001 | NA | 0.6749 | 0.3868 | 0.3132 | 0.4103 | NA |
| BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+Na)+ | 0.7050 | 0.9484 | 1.1225 | 0.9645 | NA | 1.1853 | 0.9324 | 0.9398 | 0.9933 | NA |
| BUTYRYLCARNITINE (*) (M+H)+ | 0.6738 | 1.1389 | 1.4602 | 0.8188 | NA | 1.1648 | 0.5248 | 0.4319 | 0.5648 | NA |
| CAFFEINE (M+H)+ | 0.7457 | 0.8233 | 0.8942 | 1.1789 | NA | 1.0488 | 1.3865 | 0.9993 | 1.1156 | NA |
| CAFFEINE (M+Na)+ | 0.8054 | 0.8700 | 0.7741 | 1.2856 | NA | 0.9022 | 1.4435 | 0.8834 | 0.9823 | NA |
| CALCIDIOL (M+H)+[-H2O] | 0.4574 | 0.9444 | 0.5718 | 1.5159 | NA | 0.8169 | NA | 0.6955 | 0.7751 | NA |
| CARNITINE (M+H)+ | 8.5320 | 1.0110 | 0.4913 | 0.4920 | NA | 0.5286 | 0.4617 | 0.3651 | 0.2894 | NA |
| CHOLESTEROL (M+H)+[-H2O] | 1.1574 | 0.9577 | 1.2128 | 0.6087 | NA | 1.2905 | 1.4003 | 1.4299 | 1.2377 | NA |
| CHOLINE M+ | 0.4262 | 0.5484 | 2.0750 | 0.7648 | NA | 1.1902 | 2.5161 | 0.7064 | 0.8269 | NA |
| CITRIC ACID (M+Na)+ | 11.3861 | 0.5400 | 0.4022 | 0.7221 | NA | 0.4117 | 0.4375 | 0.6271 | 0.4995 | NA |
| CREATINE (M+H)+ | 1.8404 | 0.9602 | 0.5744 | 1.4342 | NA | 0.6649 | 0.6313 | 0.6329 | 0.7662 | NA |
| CREATININE (M+H)+ | 0.0882 | 0.4792 | 1.6143 | 1.4788 | NA | 0.9673 | 0.6767 | NA | NA | NA |
| DECANOIC ACID (2M+Na)+ | 1.5270 | 0.9911 | 0.4051 | 1.3411 | NA | 0.2258 | NA | 0.6767 | 1.2788 | NA |
| DECANOYLCARNITINE (*) (M+H)+ | 1.4179 | 1.0590 | 0.6882 | 1.2801 | NA | 0.6245 | 0.9215 | 0.8279 | 0.8427 | NA |
| DECENOYLCARNITINE (*) (M+H)+ | 1.5183 | 1.0061 | 0.8611 | 1.1461 | NA | 0.8218 | 0.9098 | 0.7329 | 0.8543 | NA |
| DESMOSTEROL (M+H)+[-H2O] | 0.8103 | 0.5305 | 1.7948 | 0.5714 | NA | 2.0511 | 1.0774 | 0.9658 | 0.9853 | NA |
| DODECENOYLCARNITINE (*) II M+ | 0.7727 | 0.7250 | 0.9590 | 1.5291 | NA | 0.8011 | 0.8639 | 0.7035 | 0.7225 | NA |
| DODECENOYLCARNITINE (*) M+ | 0.9591 | 0.7945 | 0.9210 | 1.4824 | NA | 0.7623 | 0.7971 | 0.6054 | 0.7645 | NA |
| EDTA (M+H)+ | 5.2221 | 0.5112 | 0.7467 | 0.5420 | NA | 1.0771 | NA | 0.6530 | 0.8479 | NA |
| EDTA (M+Na)+ | 2.6505 | 0.8079 | 0.9136 | 0.8636 | NA | 0.9865 | 1.3783 | 1.1673 | 1.0039 | NA |
| EICOSANOYLCARNITINE (*) (M+H)+ | 2.1056 | 1.2037 | 0.5117 | 1.1751 | NA | 0.7148 | 0.3791 | 0.4045 | 0.5396 | NA |
| ELAIDIC ACID (M+H)+ | 1.9706 | 0.8748 | 0.5915 | 1.4931 | NA | 0.6044 | 0.6786 | 1.1114 | 0.8119 | NA |
| EPIBRASSINOLIDE [ISTD] (M+H)+ | 1.0147 | 1.0164 | 0.9401 | 1.0722 | NA | 0.9575 | 0.8672 | 0.9032 | 0.9566 | NA |
| EPIBRASSINOLIDE [ISTD] (M+Na)+ | 1.0017 | 1.0817 | 0.8679 | 1.0745 | NA | 0.8596 | 0.9369 | 0.9515 | 0.9793 | NA |
| GLUCOSE (M+Na)+ | 2.0380 | 0.9028 | 0.7035 | 1.3709 | NA | 0.6613 | 0.6022 | 0.7253 | 0.6157 | NA |
| GLUTARYLCARNITINE (*) (M+H)+ | 0.7038 | 1.0288 | 0.8275 | 1.0751 | NA | 0.8588 | 1.3219 | 1.0176 | 1.2024 | NA |
| GLYCEROL MYRISTATE (M+Na)+ | 0.9574 | 0.9095 | 0.6554 | 1.2644 | NA | 0.5994 | 1.4853 | 1.2079 | 1.3388 | NA |
| GLYCOCHENODEOXYCHOLIC ACID (M+H)+ | 0.7022 | 1.0887 | 0.8110 | 1.2244 | NA | NA | NA | 0.7978 | NA | NA |
| GLYCOCHENODEOXYCHOLIC ACID (M+H)+[-H2O] | 1.5562 | 1.3559 | 0.7219 | 0.7899 | NA | 0.6540 | 1.2210 | 1.3026 | 0.9736 | NA |
| GLYCOCHENODEOXYCHOLIC ACID (M+Na)+ | 1.7146 | 1.4178 | 0.7011 | 0.7555 | NA | 0.6507 | 1.1046 | 1.2853 | 0.8978 | NA |
| GLYCOCHOLIC ACID (M+H)+[-H2O] | 0.6816 | 1.4892 | NA | 0.6767 | NA | 0.3557 | 0.8359 | 0.5895 | 0.6098 | NA |
| HEXANOYLCARNITINE (*) M+ | 0.8956 | 0.5685 | 1.8220 | 0.7504 | NA | 1.7264 | 0.8079 | 0.7752 | 0.8406 | NA |
| HIPPURIC ACID (M+H)+ | 0.8405 | 0.8659 | 1.1628 | 1.0363 | NA | 0.9951 | 1.0924 | 1.1505 | 1.0061 | NA |
| HIPPURIC ACID (M+Na)+ | 0.9873 | 0.8397 | 1.1418 | 1.1223 | NA | 0.9718 | 0.9861 | 0.9468 | 0.9079 | NA |
| HOMOGENTISIC ACID (M+H)+ | 0.5496 | 0.7501 | 0.6441 | 1.5522 | NA | 0.8454 | 1.2882 | 0.8650 | 0.7966 | NA |
| HOMOVANILLIC ACID (M+H)+ | 0.3551 | 0.7302 | 1.1693 | 1.0038 | NA | 0.7687 | 1.1845 | 2.0422 | 1.7216 | NA |
| HYPOXANTHINE (M+H)+ | 0.0855 | 0.4417 | 1.7000 | 0.9315 | NA | 1.5215 | 1.4475 | 0.9889 | 1.1827 | NA |
| INOSINE (M+H)+ | NA | 0.4528 | 1.2717 | 0.7550 | NA | 1.7811 | NA | 1.0495 | NA | NA |
| INOSINE (M+Na)+ | 0.0296 | 0.1842 | 1.9977 | 1.0772 | NA | 1.0022 | 2.6850 | 1.2683 | 1.0409 | NA |
| ISO-BUTYRYLCARNITINE (*) (M+H)+ | 0.7760 | 1.2189 | 1.2935 | 0.7164 | NA | 1.0543 | 0.8550 | 0.7813 | 0.8741 | NA |
| ISOLEUCINE (M+H)+ | 1.0444 | 1.2341 | 0.8952 | 0.9058 | NA | 0.9909 | 1.0141 | 0.7026 | 0.7627 | NA |
| ISOLEUCINE (M+Na)+ | 1.2722 | 1.0987 | 0.8344 | 1.0567 | NA | 0.8214 | 0.8762 | 0.9873 | 0.9501 | NA |
| ISOVALERYLCARNITINE (*) (M+H)+ | 1.1473 | 0.8544 | 1.6101 | 0.6239 | NA | 1.3669 | 0.9832 | 0.8817 | 1.0314 | NA |
| KYNURENINE (M+H)+ | 0.5392 | 0.6405 | 1.8501 | 0.6468 | NA | 1.7579 | 0.9826 | 0.8632 | 0.9931 | NA |
| KYNURENINE (M+Na)+ | 0.8958 | 0.7928 | 1.4630 | 0.7769 | NA | 1.4924 | 0.8925 | 0.9212 | 1.0066 | NA |
| LAUROYLCARNITINE (M+H)+ | 1.2598 | 0.7909 | 0.9350 | 1.3343 | NA | 0.8810 | 0.8155 | 0.7973 | 0.8506 | NA |
| LEUKOTRIENE B4 (M+H)+ | 0.7078 | 0.6809 | 1.8763 | 0.7687 | NA | 1.6067 | 0.9668 | 0.6600 | 0.7957 | NA |
| LINOLEOYLCARNITINE (*) (M+H)+ | 1.0919 | 0.8328 | 1.0563 | 1.1846 | NA | 1.2625 | 0.5462 | 0.4373 | 0.7278 | NA |
| LL-2,6-DIAMINOHEPTANEDIOIC ACID (M+H)+[-H2O] | NA | 0.7965 | 1.4034 | 0.5339 | NA | 1.5160 | 1.3487 | NA | 1.1136 | NA |
| L-TRYPTOPHAN-15N2 [ISTD] (M+H)+ | 1.0419 | 1.0236 | 0.8892 | 1.1276 | NA | 0.9004 | 0.8661 | 0.9021 | 0.8779 | NA |
| LYSINE (M+H)+ | 0.6437 | 0.7270 | 1.8821 | 0.6326 | NA | 1.4625 | 0.9973 | NA | NA | NA |
| METHIONINE (M+H)+ | 1.1425 | 0.8754 | 1.1430 | 0.9277 | NA | 1.1768 | 1.0839 | 1.0033 | 1.0252 | NA |
| METHYL JASMONATE (M+H)+ | 1.1633 | 0.8203 | 1.1742 | 0.8420 | NA | 1.8456 | NA | 0.9650 | 0.7444 | NA |
| METHYL JASMONATE (M+Na)+ | 0.7947 | 0.9963 | 1.0208 | 1.0729 | NA | 0.9666 | 0.8436 | 0.8332 | 1.1088 | NA |
| MYRISTOYLCARNITINE (*) (M+H)+ | 0.7404 | 0.5465 | 0.9834 | 1.6318 | NA | 1.1400 | 0.4793 | 0.4962 | 0.6423 | NA |
| N-ACETYL-DL-METHIONINE (M+Na)+ | 0.3424 | 0.3592 | 1.7163 | 0.5697 | NA | 2.1432 | 0.8191 | NA | 0.8225 | NA |
| N-ACETYL-DL-SERINE (M+H)+[-H2O] | 1.3726 | 0.9135 | 0.7248 | 1.0874 | NA | 1.3090 | 0.9773 | NA | 1.0909 | NA |
| N-ACETYL-L-LEUCINE (M+H)+ | 1.7920 | 0.8288 | 0.6809 | 0.7707 | NA | 2.2840 | 0.8522 | NA | 0.8082 | NA |
| N-CYCLOHEXYLFORMAMIDE (M+Na)+ | 1.2633 | 1.1670 | 0.8020 | 1.0402 | NA | 0.9513 | NA | 0.7247 | NA | NA |
| NICOTINAMIDE (M+H)+ | 0.2058 | 0.3323 | 2.2430 | 0.4260 | NA | 2.2839 | 1.5892 | 0.8868 | 0.9514 | NA |
| N-METHYL-GLUTAMIC ACID (M+Na)+ | NA | 1.4367 | 1.0005 | 0.3054 | NA | 1.3419 | NA | 0.4825 | NA | NA |
| OCTANOYLCARNITINE (*) (M+H)+ | 1.6226 | 0.9641 | 0.9150 | 1.1137 | NA | 0.8939 | 0.8462 | 0.7876 | 0.8132 | NA |
| OCTENOYLCARNITINE (*) M+ | 1.9562 | 0.9457 | 1.0184 | 1.0911 | NA | 0.8084 | 0.7487 | 0.7656 | 0.7541 | NA |
| OLEIC ACID (M+H)+ | 0.4291 | 0.9998 | 0.9285 | 1.0206 | NA | 0.9460 | 1.5178 | 1.1353 | NA | NA |
| OLEIC ACID (M+Na)+ | 0.4213 | 1.0015 | 0.9481 | 1.0517 | NA | 0.8376 | NA | 1.1067 | 1.3256 | NA |
| OLEOYLCARNITINE (*) (M+H)+ | 1.0907 | 0.8694 | 0.7915 | 1.3969 | NA | 1.1179 | 0.3732 | 0.3759 | 0.6680 | NA |
| OLEOYL-GLYCEROL (M+H)+ | 3.5491 | 0.6944 | 0.2206 | 1.5871 | NA | 0.2092 | 0.3987 | 0.6358 | 0.4615 | NA |
| OLEOYL-GLYCEROL (M+Na)+ | 3.0490 | 0.7325 | 0.1789 | 1.8526 | NA | 0.1835 | 0.7339 | 0.8234 | 0.7589 | NA |
| ORNITHINE (M+H)+ | 0.9716 | 0.8734 | 1.5976 | 0.6028 | NA | 1.3982 | 1.0321 | NA | NA | NA |
| P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (M+H)+ | 0.4920 | 2.1487 | 1.3872 | 2.4140 | NA | 0.6708 | NA | 0.1469 | 0.5724 | NA |
| P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (M+Na)+ | 1.0050 | 1.1695 | 1.1595 | 1.4846 | NA | 1.2550 | 0.3914 | 0.4472 | 0.4441 | NA |
| PALMITOLEYLCARNITINE (*) M+ | 0.6723 | 0.4900 | 1.5833 | 1.2178 | NA | 1.4172 | 0.5876 | 0.5801 | 0.6982 | NA |
| PALMITOYLCARNITINE (M+H)+ | 1.0638 | 0.6872 | 1.2632 | 1.0365 | NA | 1.7209 | 0.3753 | 0.3882 | 0.7073 | NA |
| PANTOTHENIC ACID (M+H)+ | 0.4746 | 0.4796 | 2.0414 | 0.6440 | NA | 1.8829 | 1.1616 | 0.6914 | 1.0602 | NA |
| PANTOTHENIC ACID (M+Na)+ | 0.5056 | 0.3837 | 2.2247 | 0.5540 | NA | 2.1974 | 0.8401 | 0.7774 | 0.8449 | NA |
| PHENYLALANINE (M+H)+ | 0.8106 | 0.8789 | 1.1705 | 1.1616 | NA | 0.9279 | 0.7561 | 1.0363 | 0.7441 | NA |
| PHENYLALANINE (M+Na)+ | 0.9133 | 1.0991 | 0.9925 | 1.1284 | NA | 0.5828 | NA | NA | 0.8259 | NA |
| PIMELIC ACID (M+Na)+ | 0.5323 | 0.8118 | 1.2965 | 1.1773 | NA | 1.0614 | NA | 1.0302 | 0.5404 | NA |
| PIPECOLIC ACID (M+H)+ | 0.7883 | 1.0673 | 0.8222 | 1.1252 | NA | 0.8116 | 1.0737 | 1.0350 | 1.0612 | NA |
| PROLINE (M+H)+ | 1.3491 | 1.1501 | 0.7625 | 1.1544 | NA | 0.7382 | 0.7533 | 0.8654 | 0.7012 | NA |
| PROPIONYLCARNITINE (*) (M+H)+ | 2.9086 | 0.8466 | 1.5518 | 0.5327 | NA | 1.2819 | 0.6316 | 0.6504 | 0.8967 | NA |
| S-ADENOSYL-L-HOMOCYSTEINE (M+H)+ | 1.5529 | 0.9341 | 1.2405 | 1.0002 | NA | 1.0864 | 0.5046 | 0.7132 | NA | NA |
| SEROTONIN (M+Na)+ | 4.4786 | 0.7700 | 0.4222 | 1.0636 | NA | 0.8510 | NA | NA | 0.6780 | NA |
| S-HEXYL-GLUTATHIONE (M+H)+ | 0.0703 | NA | 1.6297 | 0.3580 | NA | 1.6623 | 0.3250 | NA | 0.3413 | NA |
| SN-GLYCERO-3-PHOSPHOCHOLINE (M+H)+ | NA | 2.0244 | 0.1511 | 0.2532 | NA | 0.1725 | 3.2294 | NA | NA | NA |
| SPERMIDINE (M+H)+ | 0.1925 | 0.1426 | 2.6159 | 0.4157 | NA | 2.2708 | 1.1569 | 0.5414 | 1.2646 | NA |
| SPERMINE (M+H)+ | 0.0906 | 0.2615 | 1.6510 | 0.9202 | NA | 1.8280 | 1.0997 | 0.9475 | 0.8652 | NA |
| SPHINGANINE (M+H)+ | 2.7480 | 0.5182 | 0.7751 | 1.3209 | NA | 1.4492 | 0.4486 | 0.3775 | 0.6240 | NA |
| SPHINGOSINE (M+H)+ | 1.8497 | 0.4837 | 1.1019 | 1.3137 | NA | 1.5710 | 0.4667 | 0.4154 | 0.5949 | NA |
| STEAROYLCARNITINE (*) (M+H)+ | 1.3027 | 0.8868 | 0.7927 | 1.2547 | NA | 1.3349 | 0.3443 | 0.3440 | 0.6338 | NA |
| TETRADECADIENOYLCARNITINE (*) M+ | 0.9965 | 0.5836 | 1.1426 | 1.3375 | NA | 1.0753 | 0.8952 | 0.8568 | 0.9874 | NA |
| TETRADECENOYLCARNITINE (*) M+ | 1.2717 | 0.7265 | 0.6798 | 1.6758 | NA | 0.6373 | 0.7379 | 0.7265 | 0.7519 | NA |
| THEOBROMINE (M+H)+ | 0.4224 | 1.0076 | 0.7691 | 1.3080 | NA | 0.7680 | 1.3164 | 0.8586 | 0.9846 | NA |
| THEOBROMINE (M+Na)+ | 0.2906 | 1.0167 | 0.6730 | 1.6248 | NA | 0.6211 | 0.5208 | 0.5463 | 0.5579 | NA |
| THEOPHYLLINE (M+H)+ | 0.8663 | 0.7693 | 0.9190 | 1.0689 | NA | 1.4538 | 1.3888 | 1.0405 | 0.9238 | NA |
| THEOPHYLLINE (M+Na)+ | 0.9204 | 0.7426 | 0.7468 | 1.3066 | NA | 0.9653 | 1.4431 | 1.1842 | 1.1323 | NA |
| TRANS-CYCLOHEXANE-1,2-DIOL (M+Na)+ | 0.5133 | 1.5404 | 1.0075 | 0.4462 | NA | 1.1574 | 1.0843 | 0.6834 | 0.4061 | NA |
| TRYPTOPHAN (M+H)+ | 0.8969 | 1.0621 | 1.1403 | 0.8697 | NA | 1.0980 | 0.9143 | 0.8918 | 0.9629 | NA |
| TRYPTOPHAN (M+Na)+ | 0.9985 | 1.1358 | 0.9865 | 0.9252 | NA | 0.9421 | 0.9239 | 0.9485 | 0.9651 | NA |
| TYROSINE (M+H)+ | 1.1462 | 1.1194 | 0.9845 | 0.8988 | NA | 1.0332 | 0.9751 | 0.7529 | 0.9598 | NA |
| TYROSINE (M+Na)+ | 2.2121 | 1.3221 | 0.6291 | 0.9536 | NA | 0.6934 | 0.6886 | 0.7312 | 0.7137 | NA |
| URIC ACID (M+H)+ | 1.3434 | 0.9275 | 0.7823 | 1.2197 | NA | 0.8526 | 0.9570 | 1.0010 | 0.9229 | NA |
| URIC ACID (M+Na)+ | 0.3585 | 0.9107 | 0.8137 | 1.2430 | NA | 0.8965 | NA | 1.0302 | NA | NA |
| URIDINE (M+Na)+ | 1.3014 | 1.1547 | 0.8944 | 1.0071 | NA | 0.9051 | 0.7386 | 0.7399 | 0.7872 | NA |
| VALINE (M+H)+ | 1.2671 | 1.2001 | 0.8520 | 0.9011 | NA | 0.8704 | 0.9638 | 1.0621 | 0.9571 | NA |
| VALINE (M+Na)+ | 1.3312 | 1.1697 | 0.8621 | 0.8693 | NA | 0.9470 | 0.8896 | 0.9559 | NA | NA |
| ZEATIN [ISTD] (M+H)+ | 0.9027 | 1.0018 | 0.9866 | 1.0029 | NA | 1.0059 | 1.0320 | 1.0546 | 1.0144 | NA |
