Data for Placental cells (BeWo) phthalate exposure metabolomics (Study ST000748)
(Analysis AN001173)Values for each metabolite have been scaled by dividing by the mean across all factors Run Hierarchial cluster analysis on this study | Run Heatmap cluster analysis on this study| Metabolite | F1 | F2 | F3 | F4 | F5 | F6 |
|---|---|---|---|---|---|---|
| 16:0 LYSO PC (M+H)+ | 0.7425 | 1.3475 | 0.7173 | 1.2556 | 0.7553 | 1.1817 |
| 16:0 LYSO PC (M+NA)+ | 0.6358 | 1.5254 | 0.6289 | 1.3083 | 0.6681 | 1.2335 |
| 1-METHYLXANTHINE (M+H)+ | 0.5826 | 1.3681 | 0.5596 | 1.3790 | 0.6297 | 1.3419 |
| 25-HYDROXYCHOLESTEROL (M+H)+[-H2O] | 1.0268 | 1.0422 | 0.9848 | 0.9501 | 1.0150 | 0.9811 |
| 3-HYDROXYBENZALDEHYDE (M+H)+[-H2O] | NA | 1.0181 | NA | 1.0118 | NA | 0.9701 |
| 3-METHYLXANTHINE (M+H)+ | 0.6133 | 1.3713 | 0.6061 | 1.3845 | 0.6679 | 1.3569 |
| 4-ACETAMIDOBUTANOIC ACID (M+NA)+ | 0.9852 | NA | 0.9623 | NA | 1.0525 | NA |
| 4-HYDROXY-L-PROLINE (M+H)+ | NA | 0.9897 | NA | 1.0327 | NA | 0.9665 |
| 5-AMINOPENTANOIC ACID (M+H)+ | 1.0352 | 1.0211 | 0.9368 | 0.9185 | 1.0996 | 0.9832 |
| 5-HYDROXYINDOLEACETIC ACID (M+H)+ | NA | 0.9357 | NA | 1.0566 | NA | 1.0078 |
| 5-HYDROXYINDOLEACETIC ACID (M+NA)+ | NA | 0.9863 | NA | 1.0278 | NA | 0.9721 |
| 5^-METHYLTHIOADENOSINE (M+H)+ | 1.7872 | 0.0987 | 1.8054 | 0.1039 | 2.1023 | 0.1025 |
| 5^-METHYLTHIOADENOSINE (M+NA)+ | 1.0003 | NA | 0.9448 | NA | 1.0550 | NA |
| 5-OXOPROLINE (M+H)+ | 0.6275 | 1.3177 | 0.5550 | 1.3535 | 0.7400 | 1.4064 |
| ACETYLCARNITINE (M+H)+ | 1.2125 | 0.5843 | 1.4224 | 0.5903 | 1.6173 | 0.5732 |
| ADENOSINE 5^-MONOPHOSPHATE (M+H)+ | 0.0562 | 2.0016 | 0.1625 | 1.8474 | 0.0409 | 1.8913 |
| ADENOSINE (M+H)+ | NA | NA | 1.5479 | NA | 0.4521 | NA |
| ALLANTOIN (M+NA)+ | NA | 1.0334 | NA | 0.9571 | NA | 1.0095 |
| ALPHA-LINOLENIC ACID (M+NA)+ | NA | 0.9800 | NA | 0.9669 | NA | 1.0421 |
| ASPARTIC ACID (M+NA)+ | 0.9749 | NA | 1.0738 | NA | 0.9513 | NA |
| AZELAIC ACID (M+H)+ | 1.4141 | NA | 0.6333 | NA | 0.8303 | NA |
| AZELAIC ACID (M+H)+[-H2O] | 1.4837 | 0.7898 | 0.8997 | 0.8474 | 1.1567 | 0.8226 |
| AZELAIC ACID (M+NA)+ | 1.3608 | 0.8893 | 0.7998 | 0.9706 | 1.0466 | 0.9329 |
| BILIVERDIN (M+H)+ | 0.9876 | NA | 0.9579 | NA | 1.0544 | NA |
| BIOTIN (M+H)+ | 1.1706 | 0.8641 | 1.2222 | 0.8715 | 1.0536 | 0.8181 |
| BIOTIN (M+NA)+ | 0.9888 | NA | 1.1227 | NA | 0.8885 | NA |
| BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+H)+ | 1.8483 | 0.9961 | 1.5835 | 0.6918 | 0.5852 | 0.2952 |
| BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+NA)+ | 1.5422 | 1.0404 | 1.4817 | 0.8458 | 0.6824 | 0.4076 |
| BUTYRYLCARNITINE (*) (M+H)+ | 1.7698 | 0.1717 | 2.0399 | 0.1833 | 1.6733 | 0.1621 |
| CADAVERINE (M+H)+ | 1.0436 | NA | 1.1400 | NA | 0.8776 | NA |
| CHOLESTEROL (M+H)+[-H2O] | 0.8178 | NA | 1.0320 | NA | 1.1502 | NA |
| CHOLINE M+ | 0.8423 | 1.1261 | 0.9049 | 1.1327 | 0.8803 | 1.1138 |
| CHOLINE PHOSPHATE (M+NA)+ | 0.9210 | NA | 1.0131 | NA | 1.0659 | NA |
| CITRIC ACID (M+NA)+ | 1.4029 | 0.5936 | 1.3336 | 0.6942 | 1.3366 | 0.6269 |
| CREATINE (M+H)+ | 0.9731 | NA | 1.0101 | NA | 1.0168 | NA |
| CREATININE (M+H)+ | 0.8168 | 0.9510 | 1.2477 | 0.9455 | 1.0614 | 0.9165 |
| CREATININE (M+NA)+ | 0.8640 | 0.9696 | 1.4490 | 1.0835 | 0.8440 | 0.9093 |
| CYTIDINE (2M+H)+ | 1.1550 | NA | 0.8972 | NA | 0.9217 | NA |
| DETHIOBIOTIN (M+NA)+ | 1.1146 | 0.9466 | 1.1056 | 0.9182 | 1.0192 | 0.8958 |
| D-GALACTOSAMINE (M+H)+[-H2O] | 0.6957 | NA | 0.9897 | NA | 1.3146 | NA |
| D-GLUCOSAMINE (M+H)+ | 1.0262 | NA | 1.0845 | NA | 0.9174 | NA |
| ERYTHRITOL (M+NA)+ | 1.2199 | 0.7231 | 1.4940 | 0.8518 | 1.1657 | 0.8017 |
| ETHANOLAMINE (M+NA)+ | 1.0390 | NA | 0.8531 | NA | 1.1079 | NA |
| FOLIC ACID (M+H)+ | 0.3300 | 1.7472 | 0.3074 | 1.6777 | 0.3954 | 1.5423 |
| FOLIC ACID (M+NA)+ | 0.5187 | 1.2482 | 0.5998 | 1.7586 | 0.7809 | 1.0938 |
| GAMMA-L-GLUTAMYL-L-CYSTEINE (M+H)+[-H2O] | 0.9523 | NA | 1.1392 | NA | 0.9390 | NA |
| GAMMA-LINOLENIC ACID (M+NA)+ | 1.0453 | NA | 0.9856 | NA | 0.9691 | NA |
| GLUCOSE (2M+NA)+ | 0.5116 | 1.4585 | 0.4673 | 1.5069 | 0.6044 | 1.4512 |
| GLUCOSE (M+NA)+ | 0.5237 | 1.4205 | 0.4827 | 1.4894 | 0.6114 | 1.4724 |
| GLUTAMINE (M+NA)+ | NA | 1.0448 | NA | 1.0437 | NA | 0.9116 |
| GLUTARYLCARNITINE (*) (M+H)+ | 0.3013 | 1.7412 | 0.2682 | 1.6833 | 0.3636 | 1.6424 |
| GLUTATHIONE OXIDIZED (M+H)+ | 0.9772 | NA | 1.0010 | NA | 1.0142 | NA |
| GLUTATHIONE OXIDIZED (M+H2)+2 | 2.0203 | 0.0074 | 2.0413 | 0.0059 | 1.9277 | 0.0061 |
| GLYCEROL MYRISTATE (M+H)+[-H2O] | 0.9499 | NA | 1.1881 | NA | 0.8620 | NA |
| GLYCEROL MYRISTATE (M+NA)+ | 0.8981 | 0.9717 | 0.9920 | 1.1424 | 0.8184 | 1.1774 |
| GLYCOCHENODEOXYCHOLIC ACID (M+H)+ | NA | 1.0904 | NA | 0.9912 | NA | 0.9184 |
| GLYCOCHENODEOXYCHOLIC ACID (M+NA)+ | NA | 1.0158 | NA | 0.9342 | NA | 1.0421 |
| GLYCOCHOLIC ACID (M+H)+ | NA | 0.9434 | NA | 1.1307 | NA | 0.9259 |
| GLYCOCHOLIC ACID (M+H)+[-H2O] | 0.3086 | 1.5599 | 0.3239 | 1.5965 | 0.4504 | 1.3470 |
| GLYCOLITHOCHOLIC ACID (M+H)+[-H2O] | 1.1547 | NA | 0.8531 | NA | 1.0656 | NA |
| GLYCOLITHOCHOLIC ACID (M+NA)+ | NA | 1.0722 | NA | 1.0555 | NA | 0.8908 |
| HEXANOYLCARNITINE (*) M+ | 0.9022 | 1.1036 | 1.0802 | 1.0303 | 0.9311 | 0.9526 |
| HIPPURIC ACID (M+H)+ | 0.2670 | 1.7201 | 0.2639 | 1.7588 | 0.3320 | 1.6583 |
| HIPPURIC ACID (M+NA)+ | NA | 0.9924 | NA | 1.0471 | NA | 0.9605 |
| HOMOSERINE (M+NA)+ | 0.9612 | NA | 0.9699 | NA | 1.0689 | NA |
| HYPOXANTHINE (M+H)+ | 0.4345 | 1.5979 | 0.4378 | 1.4695 | 0.5593 | 1.5011 |
| HYPOXANTHINE (M+NA)+ | NA | 1.1801 | NA | 1.1217 | NA | 0.6982 |
| INDOLE-3-ACETALDEHYDE (M+H)+ | 0.9152 | NA | 1.0559 | NA | 1.0006 | NA |
| INDOLE-3-ACETIC ACID (M+NA)+ | NA | 0.9420 | NA | 0.9598 | NA | 1.0848 |
| ISO-BUTYRYLCARNITINE (*) (M+H)+ | 1.6359 | 0.3117 | 1.8857 | 0.3206 | 1.5461 | 0.3000 |
| ISOLEUCINE (M+H)+ | 0.7330 | 1.2384 | 0.7193 | 1.2351 | 0.7635 | 1.2217 |
| ISOLEUCINE (M+NA)+ | 0.4688 | 1.6034 | 0.4524 | 1.6418 | 0.4853 | 1.5227 |
| ISOVALERYLCARNITINE (*) (M+H)+ | 1.7193 | 0.1908 | 1.9193 | 0.2230 | 1.7492 | 0.1983 |
| KYNURENIC ACID (M+H)+ | 0.2377 | 1.4751 | 0.2338 | 1.5345 | 0.3000 | 1.4539 |
| KYNURENINE (M+H)+ | 0.2826 | 1.6842 | 0.2905 | 1.7391 | 0.3518 | 1.6519 |
| L-ARGININE (M+H)+ | 1.0018 | NA | 0.9627 | NA | 1.0354 | NA |
| L-ARGININE (M+NA)+ | NA | 1.0050 | NA | 0.9394 | NA | 1.0556 |
| L-TRYPTOPHAN-15N2 [ISTD] (M+H)+ | 1.3181 | 0.6606 | 1.3616 | 0.6986 | 1.2892 | 0.6719 |
| LUMICHROME (M+H)+ | 0.5108 | 1.5738 | 0.4950 | 1.4944 | 0.5930 | 1.3329 |
| LUMICHROME (M+NA)+ | 0.5234 | 1.6236 | 0.5105 | 1.4924 | 0.5712 | 1.2790 |
| LYSINE (M+H)+ | 1.0020 | NA | 1.0125 | NA | 0.9855 | NA |
| LYSINE (M+NA)+ | 0.8250 | 1.1147 | 0.8660 | 1.1833 | 0.8286 | 1.1825 |
| MANNITOL (M+NA)+ | NA | 1.0242 | NA | 1.0270 | NA | 0.9488 |
| METHIONINE (M+H)+ | 0.5722 | 1.4312 | 0.4820 | 1.4708 | 0.5905 | 1.4532 |
| METHYL BETA-D-GALACTOSIDE (M+NA)+ | NA | 1.1094 | NA | 1.1474 | NA | 0.6694 |
| N-ACETYL-ASPARTIC ACID (M+H)+ | 2.0606 | 0.0849 | 1.8864 | 0.0781 | 1.8310 | 0.0590 |
| N-ACETYL-ASPARTIC ACID (M+NA)+ | 1.1744 | NA | 0.9084 | NA | 0.9172 | NA |
| N-ACETYL-DL-METHIONINE (M+NA)+ | NA | 0.9687 | NA | 1.0946 | NA | 0.9366 |
| N-ACETYL-DL-SERINE (M+H)+[-H2O] | 0.9981 | NA | 0.9284 | NA | 1.0735 | NA |
| N-ACETYL-D-TRYPTOPHAN (M+H)+ | NA | 0.9720 | NA | 1.0157 | NA | 1.0123 |
| N-ACETYL-D-TRYPTOPHAN (M+NA)+ | NA | 0.9327 | NA | 1.0984 | NA | 0.9688 |
| N-ACETYL-L-PHENYLALANINE (M+H)+ | 1.0041 | NA | 0.8051 | NA | 1.1908 | NA |
| N-ACETYL-L-PHENYLALANINE (M+NA)+ | 0.4841 | 1.3240 | 0.4158 | 1.7028 | 0.6521 | 1.4211 |
| N-ACETYLNEURAMINIC ACID (M+H)+ | 1.5490 | 0.3159 | 1.6074 | 0.3086 | 1.6521 | 0.3505 |
| N-ACETYLNEURAMINIC ACID (M+NA)+ | 0.8778 | 1.0803 | 0.8810 | 1.0862 | 0.9726 | 1.1020 |
| NAD (M+2H)+2 | 0.8646 | NA | 1.1484 | NA | 0.9871 | NA |
| NAD (M+H)+ | 0.9145 | NA | 1.1314 | NA | 0.9541 | NA |
| NAD (M+NA)+ | 0.9441 | NA | 1.0754 | NA | 0.9806 | NA |
| N-CYCLOHEXYLFORMAMIDE (M+H)+ | 1.1837 | 0.7635 | 1.2948 | 0.7461 | 1.2455 | 0.7665 |
| N-CYCLOHEXYLFORMAMIDE (M+NA)+ | 1.3145 | 0.6122 | 1.3861 | 0.6610 | 1.3485 | 0.6778 |
| NICOTINAMIDE (M+H)+ | 0.5159 | 1.4592 | 0.5222 | 1.4648 | 0.6002 | 1.4378 |
| OCTANOYLCARNITINE (*) (M+H)+ | NA | 1.0480 | NA | 1.0660 | NA | 0.8859 |
| OLEAMIDE (M+H)+ | 0.8572 | 1.0319 | 1.0115 | 1.1684 | 0.8604 | 1.0707 |
| OLEAMIDE (M+NA)+ | 0.8181 | 1.1183 | 0.9277 | 1.2976 | 0.8401 | 1.1762 |
| OLEOYL-GLYCEROL (M+H)+ | 1.5393 | NA | 0.9592 | NA | 0.5423 | NA |
| OLEOYL-GLYCEROL (M+NA)+ | 1.0683 | 1.0319 | 1.0494 | 0.9793 | 0.9255 | 0.9456 |
| ORNITHINE (M+H)+ | 0.8121 | 1.1833 | 0.8582 | 1.1655 | 0.8399 | 1.1410 |
| PANTOTHENIC ACID (M+H)+ | 1.3235 | 0.3480 | 1.9949 | 0.3667 | 1.6447 | 0.4300 |
| PANTOTHENIC ACID (M+NA)+ | 0.9321 | NA | 1.0259 | NA | 1.0420 | NA |
| PROGESTERONE (M+NA)+ | 0.9455 | 0.8497 | 1.1336 | 0.9769 | 1.2476 | 0.8466 |
| PROLINE (M+H)+ | 1.1041 | 0.9020 | 1.0065 | 0.9170 | 1.1246 | 0.9457 |
| PROLINE (M+NA)+ | 0.5457 | 1.3643 | 0.6774 | 1.4063 | 0.6191 | 1.3872 |
| PROPIONYLCARNITINE (*) (M+H)+ | 0.9484 | NA | 1.0017 | NA | 1.0499 | NA |
| PYRIDOXINE (M+H)+ | 0.3958 | 1.5558 | 0.4295 | 1.5591 | 0.5026 | 1.5571 |
| RIBOFLAVIN (2M+NA)+ | NA | 0.9812 | NA | 1.1385 | NA | 0.8803 |
| RIBOFLAVIN (M+H)+ | 0.1644 | 1.7957 | 0.1484 | 1.9081 | 0.1828 | 1.8006 |
| RIBOFLAVIN (M+NA)+ | 0.1208 | 1.8558 | 0.1066 | 1.9649 | 0.1313 | 1.8206 |
| S-ADENOSYL-L-HOMOCYSTEINE (M+H)+ | 0.5855 | NA | 1.2636 | NA | 1.0127 | NA |
| S-ADENOSYLMETHIONINE (M+H)+ | 1.0980 | NA | 1.2683 | NA | 0.8453 | NA |
| SEBACIC ACID (M+NA)+ | 1.1614 | NA | 0.7810 | NA | 1.0575 | NA |
| SEROTONIN (M+H)+ | 1.2409 | 0.5136 | 1.5960 | 0.5928 | 1.4668 | 0.5899 |
| SN-GLYCERO-3-PHOSPHOCHOLINE (M+H)+ | 1.2163 | NA | 1.0193 | NA | 0.7644 | NA |
| SPERMIDINE (M+H)+ | 1.0275 | NA | 0.8770 | NA | 1.0955 | NA |
| STACHYOSE (M+K)+ | NA | 1.0887 | NA | 0.9073 | NA | 1.0323 |
| SUBERIC ACID (M+NA)+ | 1.1719 | 1.1511 | 0.7154 | 0.9864 | 0.9176 | 1.0863 |
| TAURINE (M+NA)+ | 0.8335 | NA | 1.2887 | NA | 0.8778 | NA |
| TAUROCHOLIC ACID (M+H)+[-H2O] | NA | 1.0961 | NA | 1.0539 | NA | 0.8821 |
| TAUROCHOLIC ACID (M+NA)+ | 0.2748 | 1.7034 | 0.3003 | 1.5969 | 0.3987 | 1.4927 |
| THEOBROMINE (M+NA)+ | NA | 0.9805 | NA | 0.9884 | NA | 1.0311 |
| THIAMIN M+ | 0.7358 | 1.2388 | 0.7913 | 1.2672 | 0.7604 | 1.2064 |
| THIAMIN M+[-C6H9NOS] | 0.4985 | 1.3894 | 0.8032 | 1.3900 | 0.6284 | 1.2905 |
| THYMIDINE (M+NA)+ | 0.5569 | 1.3487 | 0.3810 | 1.4087 | 0.6078 | 1.3598 |
| THYROXINE (M+H)+ | 0.6972 | 1.3809 | 0.6407 | 1.3597 | 0.6622 | 1.2592 |
| TRYPTOPHAN (M+H)+ | 0.4870 | 1.4726 | 0.4892 | 1.5391 | 0.5514 | 1.4607 |
| TRYPTOPHAN (M+NA)+ | 0.4978 | 1.4740 | 0.5067 | 1.5280 | 0.5524 | 1.4412 |
| TYROSINE (M+H)+ | 0.8391 | 1.1337 | 0.7970 | 1.1733 | 0.9084 | 1.1485 |
| TYROSINE (M+NA)+ | NA | 1.1364 | NA | 0.8140 | NA | 1.0496 |
| UDP-N-ACETYL-D-GALACTOSAMINE (M+NA)+ | 1.1929 | NA | 0.9291 | NA | 0.8780 | NA |
| VALINE (M+H)+ | 0.5389 | 1.4232 | 0.5031 | 1.4642 | 0.6122 | 1.4584 |
| VALINE (M+NA)+ | NA | 1.0146 | NA | 0.9889 | NA | 0.9965 |
| XANTHINE (M+H)+ | 0.5658 | 1.3274 | 0.6071 | 1.3068 | 0.7142 | 1.3340 |
| XANTHOSINE (M+H)+ | NA | 0.9991 | NA | 0.9935 | NA | 1.0074 |
| XANTHOSINE (M+NA)+ | NA | 0.7350 | NA | 1.2040 | NA | 1.0610 |
Factors:
| F1 | MEHP concentration:180 | Sample type:Cells |
| F2 | MEHP concentration:180 | Sample type:Culture Media |
| F3 | MEHP concentration:90 | Sample type:Cells |
| F4 | MEHP concentration:90 | Sample type:Culture Media |
| F5 | MEHP concentration:- | Sample type:Cells |
| F6 | MEHP concentration:- | Sample type:Culture Media |
