Data for (Study ST000724)
(Analysis AN001134)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 |
|---|---|---|---|---|---|---|
| 16:0-18:0 PC (M+CL)- | 1.0538 | 0.9441 | 1.0049 | 1.2338 | 0.9429 | 1.0332 |
| 16:0 LYSO PC (M+CL)- | 0.9632 | 1.0210 | 0.9990 | 0.9931 | 1.0114 | 0.9980 |
| 17ALPHA-HYDROXYPROGESTERONE (M+CL)- | NA | 0.5138 | NA | NA | 1.0462 | 1.4400 |
| 17ALPHA-HYDROXYPROGESTERONE (M+CL)-[-H2O] | 0.8297 | 1.1773 | 0.7439 | NA | NA | 1.2420 |
| 18:0 LYSO-PE (M-H)- | 1.0239 | 1.1469 | 0.4874 | 0.9962 | 0.9100 | 0.9638 |
| 20:0 LYSO PC (M+CL)- | 0.4397 | 1.2085 | NA | NA | 0.9931 | 1.0674 |
| 24:0 SM (D18:1/24:0) (M+CL)- | 1.3113 | 0.8418 | 0.6467 | 0.9223 | 0.9637 | 0.9884 |
| 2^-DEOXYCYTIDINE 5^-MONOPHOSPHATE (M-H)- | 1.2752 | NA | NA | NA | 0.7248 | NA |
| 2-DEOXY-D-GLUCOSE (M+CL)- | 0.6695 | 0.5633 | 1.6662 | 0.6197 | 1.1593 | 1.6242 |
| 2^-DEOXYINOSINE (M+CL)- | NA | 1.0000 | NA | NA | NA | NA |
| 2^-DEOXYINOSINE (M-H)- | 0.9135 | 0.9851 | NA | NA | 0.9356 | 1.1731 |
| 2-HYDROXY-3-METHYLBUTYRIC ACID (M-H)- | 1.0271 | 0.8016 | NA | NA | 1.7720 | 0.8370 |
| 2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (M-H)- | 0.6601 | 0.9505 | 1.0624 | 1.2402 | 1.4555 | 0.9547 |
| 2-HYDROXYBUTYRIC ACID (M-H)- | NA | 1.0000 | NA | NA | NA | NA |
| 2-METHYLMALEIC ACID #2 (M-H)- | 0.2622 | 0.3000 | NA | NA | 1.1958 | 1.3488 |
| 2-OXOADIPIC ACID (M-H)- | 1.9101 | 1.5778 | NA | NA | NA | 0.2561 |
| 3-(4-HYDROXYPHENYL)LACTIC ACID (2M-H)- | 0.5281 | 1.3957 | NA | NA | 0.7640 | 0.9443 |
| 3-(4-HYDROXYPHENYL)LACTIC ACID (M-H)- | 0.8725 | 1.0688 | 0.6925 | 0.5363 | 0.8940 | 1.3047 |
| 3-DEHYDROSHIKIMIC ACID (M-H)- | NA | 1.1305 | 0.1600 | NA | NA | 1.5789 |
| 3-HYDROXY-3-METHYLGLUTARIC ACID (M-H)- | 1.3663 | 1.1289 | 0.4478 | NA | 0.7054 | 0.8938 |
| 3-HYDROXYBENZOIC ACID (M-H)- | NA | NA | NA | NA | 1.0000 | NA |
| 3-HYDROXYKYNURENINE (M-H)- | 0.4517 | 1.9811 | NA | NA | NA | 0.5672 |
| 3-HYDROXYPHENYLACETIC ACID (M-H)- | NA | NA | NA | NA | 1.0000 | NA |
| 3-HYDROXYPYRUVIC ACID (M-H)- | 1.7790 | 0.3515 | NA | NA | 1.0029 | 0.8637 |
| 3-METHOXYTYROSINE (M-H)- | 1.2101 | 1.7594 | NA | NA | 0.7287 | 0.5549 |
| 3-METHYL-2-OXOPENTANOIC ACID (M-H)- | 0.8083 | 1.0867 | 0.3885 | 1.1757 | 1.0172 | 1.1254 |
| 3-NITRO-L-TYROSINE (M-H)- | NA | 1.0000 | NA | NA | NA | NA |
| 3-OXALOMALIC ACID (M-H)-[-H2O] | NA | 1.0085 | NA | 0.1389 | 1.3351 | 1.0869 |
| 3-PHOSPHOGLYCERIC ACID (M-H)- | 0.6840 | 2.2804 | 0.6580 | 0.2131 | 0.6742 | 0.2033 |
| 3-SULFINO-L-ALANINE (M-H)- | NA | 0.5387 | NA | 0.6622 | NA | 1.7991 |
| 3-UREIDOPROPIONIC ACID (M-H)- | 0.6401 | 0.4817 | NA | 3.8514 | 0.8463 | 1.0168 |
| 4-HYDROXYBENZOIC ACID (M-H)- | 0.9737 | 1.0348 | 0.6578 | 0.7124 | 1.0445 | 1.0476 |
| 4-HYDROXYPHENYLACETIC ACID (M-H)- | NA | NA | NA | NA | NA | 1.0000 |
| 4-METHYL-2-OXOPENTANOIC ACID (M-H)- | 0.9104 | 1.0432 | 0.3656 | 1.0136 | 0.9350 | 1.1970 |
| 4-NITROPHENYL PHOSPHATE (M-H)- | NA | 1.5745 | NA | 0.4966 | NA | 0.3900 |
| 4-PYRIDOXIC ACID (M-H)- | 0.5088 | 0.4084 | 0.4774 | NA | 2.5365 | 1.5600 |
| 5-AMINOPENTANOIC ACID (M-H)- | 1.0586 | 0.8079 | NA | NA | 1.1306 | 1.0303 |
| 5-HYDROXYINDOLEACETIC ACID (M-H)- | 0.9406 | 1.0313 | 0.4039 | 0.9008 | 1.0524 | 1.0661 |
| 5-HYDROXYTRYPTOPHAN (M-H)- | 1.5379 | 0.8034 | 0.6663 | 2.3666 | 0.6823 | 0.9119 |
| 5^-METHYLTHIOADENOSINE (M+CL)- | 1.3548 | 0.9518 | NA | 0.8789 | 0.7425 | 0.8277 |
| 5-OXOPROLINE (M-H)- | 1.1032 | 0.9959 | 0.8336 | 1.1377 | 0.8834 | 1.0454 |
| ADENOSINE 5^-MONOPHOSPHATE (M-H)- | 0.7705 | 1.1389 | NA | NA | 2.2302 | 0.2671 |
| ADENOSINE 5^-PHOSPHOSULFATE (M-H)- | 0.8881 | NA | NA | NA | 1.1119 | NA |
| ADIPIC ACID (M-H)- | 1.6065 | 1.0459 | 1.0399 | 1.9456 | 0.6974 | 0.5395 |
| ADP-RIBOSE (M-H)- | 1.1044 | NA | NA | NA | 0.8956 | NA |
| ALLANTOIN (M-H)- | 0.5099 | 0.5067 | 0.5483 | 0.4720 | 1.1538 | 1.7509 |
| ALLOPREGNANOLONE (M+CL)- | 1.2319 | 1.0441 | NA | NA | 0.9368 | 0.8377 |
| ALLOPREGNANOLONE (M+CL)-[-H2O] | NA | NA | 1.0000 | NA | NA | NA |
| ALPHA-KETO-GLUTARIC ACID (M-H)- | 0.9126 | 1.1663 | 0.6753 | 1.7018 | 0.8797 | 0.9086 |
| ARACHIDIC ACID (M-H)- | 0.7520 | 1.0323 | 1.2052 | 0.7573 | 0.9490 | 1.2701 |
| ARACHIDONIC ACID (M-H)- | 0.7829 | 1.2017 | 1.2087 | 0.9143 | 0.8135 | 1.1534 |
| ASPARTIC ACID (M-H)- | NA | NA | NA | NA | 1.0000 | NA |
| AZELAIC ACID (M-H)- | 0.9209 | 0.8153 | NA | NA | NA | 1.2242 |
| BEHENIC ACID (M-H)- | 0.6509 | 1.0201 | 0.5098 | 0.7546 | 0.8752 | 1.5710 |
| BENZOIC ACID #2 (M-H)- | NA | 1.0000 | NA | NA | NA | NA |
| BENZOIC ACID (M-H)- | 1.6850 | 0.6161 | 0.3440 | 1.6165 | 0.7086 | 1.0746 |
| BIOTIN (M-H)- | NA | NA | NA | NA | 1.0000 | NA |
| C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (M+CL)- | 0.8217 | 1.0904 | NA | NA | 0.4250 | 1.1607 |
| CAPRYLIC ACID (M-H)- | NA | 1.3933 | NA | NA | 0.8033 | NA |
| CHOLIC ACID (M-H)- | 0.8962 | 1.0686 | NA | 2.0228 | 0.7053 | 0.8103 |
| CIS-11-EICOSENOIC ACID (M-H)- | 0.7379 | 1.0713 | 0.9504 | 0.5525 | 1.0017 | 1.2395 |
| CIS-ACONITIC ACID (M-H)- | 0.7579 | 1.5142 | NA | 0.2702 | NA | 0.9434 |
| CITRAMALIC ACID (M-H)- | 1.3312 | 0.3697 | NA | 1.1521 | 0.3628 | 1.3885 |
| CITRIC ACID (M-H)- | 0.1668 | 1.8172 | 0.3624 | 0.6923 | 0.9667 | 0.9557 |
| CITRULLINE (M-H)- | 0.8669 | 0.6354 | 1.0488 | NA | 1.0635 | 1.2324 |
| CORTISOL 21-ACETIC ACID (M+CL)- | NA | 1.0000 | NA | NA | NA | NA |
| CREATINE (M-H)- | 0.6353 | 1.4554 | NA | NA | 0.4602 | 1.4296 |
| CYSTATHIONINE (M-H)- | NA | NA | NA | NA | 1.0499 | 0.9501 |
| CYSTEIC ACID (M-H)- | NA | 0.7140 | NA | NA | 1.1430 | NA |
| CYTIDINE 5^-DIPHOSPHOCHOLINE (M-H)- | NA | NA | NA | NA | 0.6710 | 1.3290 |
| DEHYDROASCORBIC ACID (M+CL)- | 1.0000 | NA | NA | NA | NA | NA |
| DEHYDROEPIANDROSTERONE SULFATE (M-H)- | 1.0000 | NA | NA | NA | NA | NA |
| DEOXYADENOSINE (M+CL)- | 0.9852 | NA | NA | NA | 1.0296 | NA |
| DEOXYCHOLIC ACID (2M-H)- | 0.2346 | 1.2060 | NA | 4.6535 | 0.4313 | 0.4628 |
| DEOXYCHOLIC ACID (M+CL)- | 0.5000 | 1.3146 | 0.2852 | 4.1836 | 0.9603 | 0.6630 |
| DEOXYCHOLIC ACID (M-H)- | 0.4616 | 1.3974 | 0.1005 | 4.8312 | 0.8916 | 0.5982 |
| DEOXYURIDINE (M+CL)- | 0.8861 | 1.0077 | 0.3254 | 1.0596 | 1.0394 | 1.1524 |
| DEOXYURIDINE (M-H)- | 0.8431 | 1.1775 | 0.5280 | NA | 0.8502 | 1.0816 |
| DEPHOSPHO-COA (M-H)- | NA | NA | NA | NA | 1.0000 | NA |
| DGDP (M-H)- | NA | 1.0000 | NA | NA | NA | NA |
| D-GLUCOSAMINE 6-SULFATE (M-H)- | NA | 1.0000 | NA | NA | NA | NA |
| D-GLUCOSAMINE (M+CL)- | 0.8133 | 0.9487 | 1.0067 | NA | 1.0087 | 1.1094 |
| D-GLUCOSE 6-PHOSPHATE (M-H)- | NA | 1.9394 | NA | NA | 0.6562 | 0.8741 |
| DIHYDROXYFUMARIC ACID (M-H)- | NA | 1.0000 | NA | NA | NA | NA |
| D-MANNOSAMINE (M-H)-[-H2O] | 0.8400 | 1.2851 | 0.8442 | 0.7251 | 0.6921 | 1.2068 |
| DOCOSAHEXAENOIC ACID (M-H)- | 0.6867 | 1.2372 | 1.5579 | 0.7599 | 0.8674 | 1.1144 |
| DUMP (M-H)- | 0.8126 | 0.4594 | 1.0814 | 0.3721 | 1.6241 | 0.9097 |
| EPIBRASSINOLIDE [ISTD] (M+CL)- | 1.0193 | 1.0210 | 1.0461 | 0.9994 | 0.9907 | 0.9578 |
| ERUCIC ACID (M-H)- | 0.7508 | 0.9789 | 2.4834 | 0.9762 | 0.9235 | 1.1552 |
| ETHYLMALONIC ACID (M-H)- | 1.5914 | 0.5867 | 0.6320 | 2.0401 | 1.1224 | 0.9764 |
| FERULATE #2 (M-H)- | NA | 0.9378 | NA | NA | 1.0311 | NA |
| FLAVIN ADENINE DINUCLEOTIDE (M-H)- | 0.2619 | 1.1782 | NA | 0.1598 | 1.5071 | 0.8911 |
| FUMARIC ACID (M-H)- | 1.2586 | 0.8445 | 0.4485 | 0.7482 | 1.1146 | 0.9415 |
| GAMMA-L-GLUTAMYL-L-CYSTEINE (M-H)- | NA | 0.8457 | NA | NA | 1.1543 | NA |
| GERANYLGERANYL DIPHOSPHATE (M-H)- | 0.9407 | 1.0100 | NA | NA | 0.9798 | 1.0316 |
| GLUCARIC ACID (M-H)- | 0.7932 | 1.1213 | 0.6314 | 0.5532 | 0.9763 | 1.1944 |
| GLUCONIC ACID (M-H)- | 0.2079 | 0.6845 | NA | 0.1387 | 3.8000 | 0.6846 |
| GLUCOSE (M+CL)- | 1.0613 | 0.3406 | 1.6930 | 0.8268 | 1.3745 | 1.2436 |
| GLUCURONIC ACID (M-H)- | 1.6097 | 0.6177 | NA | 0.4236 | 1.2090 | 0.4945 |
| GLUTAMIC ACID (M-H)- | NA | NA | NA | NA | 1.0000 | NA |
| GLUTAMINE (M-H)- | 1.1780 | 0.6927 | 0.4119 | 1.1780 | 1.5498 | 0.6883 |
| GLUTARIC ACID (M-H)- | 1.3948 | 1.1987 | 0.5315 | 1.2245 | 0.6364 | 0.7483 |
| GLUTATHIONE (OXIDIZED) (M-H)- | 0.6622 | 1.2393 | NA | 0.2838 | 1.0569 | 1.0248 |
| GLYCERIC ACID (M-H)- | 0.9320 | 0.9746 | NA | NA | 0.6938 | 1.2040 |
| GLYCEROL 2-PHOSPHATE (M-H)- | 0.4419 | 1.4650 | 0.6649 | 1.8670 | 1.3892 | 0.6618 |
| GLYCEROL MYRISTATE (M+CL)- | 1.1229 | 0.9536 | NA | 0.9235 | NA | NA |
| GLYCINE (M-H)- | 1.0000 | NA | NA | NA | NA | NA |
| GUANIDINOACETIC ACID (M-H)- | NA | NA | NA | NA | 0.7870 | 1.2130 |
| GUANINE (M-H)- | 0.8257 | 1.0872 | NA | NA | NA | NA |
| GUANOSINE 5^-PHOSPHATE (M-H)- | NA | 1.2422 | NA | NA | 0.5165 | 0.5147 |
| GUANOSINE (M+CL)- | 1.1089 | 1.1748 | 0.4110 | 1.0296 | 0.6982 | 1.0674 |
| GUANOSINE (M-H)- | 1.2446 | 1.1100 | 0.5985 | NA | 0.6653 | 1.0390 |
| HEPTADECANOIC ACID (M-H)- | 0.7945 | 0.9864 | 1.8138 | 0.6906 | 1.0272 | 1.1199 |
| HIPPURIC ACID (M-H)- | 0.4034 | 1.6922 | 0.9589 | 0.4717 | 0.7771 | 1.0108 |
| HOMOCYSTINE (M-H)- | NA | 1.0738 | NA | NA | 0.7954 | 1.2617 |
| HOMOGENTISIC ACID (M-H)- | NA | 1.0000 | NA | NA | NA | NA |
| HOMOVANILLIC ACID (2M-H)- | 0.9307 | 1.0382 | 0.8927 | 0.9684 | 0.9267 | 1.1322 |
| HOMOVANILLIC ACID (M-H)- | 0.6387 | 1.2587 | NA | NA | 0.9837 | 1.0670 |
| HYODEOXYCHOLIC ACID (M-H)- | 0.9259 | 0.7833 | 0.1917 | 4.3388 | 1.2573 | 0.6971 |
| HYPOXANTHINE (M-H)- | 1.1333 | 0.9014 | 0.1570 | 1.1443 | 0.8826 | 1.2275 |
| INDICAN (2M+CL)-[-H2O] | NA | 0.7418 | NA | NA | 1.5040 | 0.7542 |
| INOSINE 5^-DIPHOSPHATE (M-H)- | 0.1274 | 1.5699 | 0.2034 | 0.3810 | 1.6276 | 0.5444 |
| INOSINE 5^-PHOSPHATE (M-H)- | 0.2873 | 0.6400 | NA | NA | 2.0566 | 0.3195 |
| INOSINE (M+CL)- | 1.1185 | 1.5268 | 0.4971 | 0.3670 | 0.7468 | 0.6559 |
| INOSINE (M-H)- | 0.8918 | 1.2522 | 0.7915 | 0.6523 | 0.7284 | 1.1739 |
| ISOCITRIC ACID (M-H)- | 0.3032 | 1.3829 | 0.7178 | 1.2560 | 0.6928 | 1.5593 |
| ISOLEUCINE (M-H)- | 1.1253 | 0.9950 | 0.7336 | NA | 0.8692 | 1.0959 |
| ITACONIC ACID (M-H)- | 2.1053 | 1.0383 | NA | 0.3353 | 0.3682 | 0.5598 |
| KYNURENIC ACID (M-H)- | 0.9999 | 1.6033 | NA | NA | 0.6603 | 0.7364 |
| KYNURENINE (M-H)- | 0.9203 | 1.0836 | 1.8485 | 0.8912 | 0.8771 | 0.9605 |
| L-[15N]ANTHRANILIC ACID [ISTD] (M-H)- | 1.0545 | 0.9918 | 1.0408 | 1.0418 | 0.9605 | 0.9895 |
| LANTHIONINE (M-H)- | 1.4113 | 0.5732 | 0.9812 | 0.4503 | NA | 1.6151 |
| L-ARGININE (M-H)- | 1.0428 | 0.8901 | NA | NA | 0.6682 | 1.2116 |
| LAURIC ACID (M-H)- | 0.3851 | 1.1980 | 0.3829 | 0.1478 | 1.2778 | 1.2528 |
| L-CARNITINE (M+CL)- | NA | NA | NA | NA | 1.0000 | NA |
| LEUKOTRIENE B4 (M-H)- | 2.5462 | 0.7618 | 0.4207 | 0.1070 | 0.4162 | 0.6375 |
| L-FUCOSE 1-PHOSPHATE (M-H)- | 0.6749 | 1.3251 | NA | NA | NA | NA |
| L-HISTIDINE (M-H)- | 1.1408 | 0.9441 | 0.6875 | 1.3151 | 0.9501 | 0.9877 |
| LIGNOCERIC ACID (M-H)- | 0.7653 | 1.0376 | 0.4899 | 0.8795 | 0.8279 | 1.4731 |
| LINOLEIC ACID (M-H)- | 0.8577 | 1.1730 | 2.6484 | 0.9009 | 0.6193 | 1.1337 |
| L-METHIONINE SULFOXIMINE (M-H)- | 1.0000 | NA | NA | NA | NA | NA |
| L-TRYPTOPHAN-15N2 [ISTD] (M-H)- | 0.9666 | 1.0143 | 1.1330 | 0.8594 | 1.0147 | 0.9993 |
| LYSINE (M-H)- | 1.0064 | 1.0007 | NA | 0.8380 | 1.2321 | 0.8182 |
| MALEIC ACID (M-H)- | 0.7856 | 1.2050 | 0.4774 | 1.1532 | 1.2293 | 0.8363 |
| MALIC ACID (M-H)- | 1.1978 | 0.9017 | NA | 1.0891 | 1.4278 | 0.6560 |
| MALIC ACID (M-H)+[-H2O] | 0.7218 | 1.1508 | NA | 0.1140 | 1.2430 | 0.9084 |
| MANNITOL (M-H)- | NA | NA | NA | 1.1759 | NA | 0.8241 |
| METHIONINE (M-H)- | 0.4313 | 1.5687 | NA | NA | NA | NA |
| METHYL BETA-D-GALACTOSIDE (M+CL)- | 0.3391 | 1.2307 | 5.2401 | 1.2580 | 0.3384 | 1.0747 |
| METHYLMALONIC ACID (M-H)- | 0.9647 | 1.0070 | 0.3306 | 0.9244 | 1.1886 | 0.9440 |
| METHYL VANILLATE (M-H)- | 0.2697 | 1.3164 | NA | NA | 0.8374 | 0.7897 |
| MEVALONIC ACID (M-H)- | 1.0415 | 0.8191 | 1.8075 | 1.2339 | 1.0888 | 0.9536 |
| M-HYDROXYMANDELIC ACID (2M-H)- | NA | NA | NA | NA | 1.0000 | NA |
| MYRISTIC ACID (M-H)- | 1.0156 | 1.0718 | 1.2682 | 0.8236 | 0.9489 | 0.9373 |
| MYRISTOLEIC ACID (M-H)- | 1.0842 | 1.3526 | 1.4641 | 0.5575 | 0.7013 | 0.7676 |
| N-ACETYL-ASPARTIC ACID (M-H)- | NA | NA | NA | 0.9471 | NA | 1.0529 |
| N-ACETYL-D-GLUCOSAMINE (M+CL)- | 0.8247 | 0.6440 | 0.8760 | 0.8082 | 1.2041 | 1.5166 |
| N-ACETYLGLYCINE (M-H)- | 0.7409 | 1.1896 | 1.4999 | 2.4287 | 0.6555 | 0.9246 |
| N-ACETYL-L-ALANINE (M-H)- | 1.1907 | 0.8506 | 0.9623 | 1.5277 | 0.9913 | 0.8659 |
| N-ACETYL-L-PHENYLALANINE (M-H)- | 0.6588 | 1.3372 | 0.2266 | 1.3607 | 0.9809 | 0.9856 |
| N-ACETYLNEURAMINIC ACID (M-H)- | 0.3073 | 0.6655 | NA | NA | 1.2046 | 1.3019 |
| NAD (M-H)- | NA | 1.0000 | NA | NA | NA | NA |
| N-AMIDINO-ASPARTIC ACID (M+CL)+[-H2O] | 0.2092 | 2.3561 | NA | NA | 0.8308 | 0.6023 |
| N-AMIDINO-ASPARTIC ACID (M-H)- | NA | 0.6727 | NA | NA | 1.3273 | NA |
| NERVONIC ACID (M-H)- | 0.9542 | 0.8345 | 2.4796 | 1.3588 | 0.9553 | 1.0471 |
| NICOTINIC ACID MONONUCLEOTIDE (M-H)- | 0.7514 | 1.2486 | NA | NA | NA | NA |
| N-NITROSODIETHANOLAMINE (M+CL)- | NA | 0.5200 | NA | 3.0047 | NA | 0.9576 |
| N-OLEOYLGLYCINE (M-H)- | 0.7101 | NA | NA | NA | 1.6524 | 0.9758 |
| OLEIC ACID (M-H)- | 0.9413 | 1.0576 | 1.3311 | 0.9779 | 0.7764 | 1.1960 |
| OLEOYL-GLYCEROL (M+CL)- | 1.0705 | 1.0490 | NA | 0.5756 | 0.8280 | 1.1718 |
| OMEGA-HYDROXYDODECANOIC ACID (M-H)- | NA | 1.0656 | NA | NA | 0.9344 | NA |
| O-PHOSPHO-SERINE (2M-H)+ | NA | 0.9463 | NA | NA | 1.1562 | 0.9756 |
| OPHTHALMIC ACID (M-H)- | 1.4146 | 0.6917 | NA | NA | 0.9600 | 0.4859 |
| ORNITHINE (M-H)- | 0.7510 | 0.9320 | 1.8828 | NA | NA | NA |
| OROTIC ACID (M-H)- | 0.9247 | 1.1893 | NA | NA | 0.8606 | 0.9115 |
| O-SUCCINYL-L-HOMOSERINE (M-H)- | 1.0082 | 1.0739 | 0.7535 | 1.7540 | 0.9002 | 0.9126 |
| OXALIC ACID (M-H)- | 2.5851 | 0.5607 | NA | 0.0311 | 0.9136 | 0.7963 |
| OXALOACETIC ACID (M-H)-[-H2O] | 1.0427 | 0.9450 | 1.0381 | 0.9513 | 1.0385 | 0.9856 |
| OXOMALONIC ACID (M-H)- | NA | 0.9114 | NA | NA | 1.0443 | NA |
| PALMITIC ACID (M-H)- | 1.0868 | 1.0705 | 1.1686 | 1.2001 | 0.8016 | 0.9967 |
| PALMITOLEIC ACID (M-H)- | 1.1789 | 1.1507 | 1.1000 | 0.8066 | 0.9126 | 0.7406 |
| PANTOTHENIC ACID (M+CL)- | 0.7886 | 1.2347 | 0.3948 | 0.9126 | 0.8686 | 1.1400 |
| PANTOTHENIC ACID (M-H)- | 0.9405 | 1.1483 | 0.4906 | 0.6645 | 0.9016 | 1.1021 |
| PHENYLALANINE (M-H)- | 1.0084 | 1.3150 | 0.5555 | 0.8534 | 0.8072 | 0.8914 |
| PHENYLPYRUVIC ACID (M-H)- | 0.3402 | 1.0944 | NA | NA | 1.0640 | 1.3317 |
| PHTHALIC ACID (M-H)- | 1.8106 | 0.9873 | NA | NA | 0.8537 | 0.4947 |
| PHYTANIC ACID (M-H)- | 0.6096 | 1.1668 | 1.0477 | 0.4364 | 1.1625 | 1.0872 |
| PICOLINIC ACID (M-H)- | NA | 1.0000 | NA | NA | NA | NA |
| PIMELIC ACID (M-H)- | NA | 1.6969 | 0.3384 | NA | 0.9583 | 0.3480 |
| PINITOL (M+CL)- | 0.5622 | 0.5600 | 4.6306 | 1.1029 | 0.2951 | 1.6301 |
| PIPECOLIC ACID (M-H)- | 1.0000 | NA | NA | NA | NA | NA |
| PROPENOIC ACID (M-H)- | 1.4901 | 0.5099 | NA | NA | NA | NA |
| PROSTAGLANDIN E2 (M-H)- | 1.3018 | 0.6982 | NA | NA | NA | NA |
| PROSTAGLANDIN E2 (M-H)-[-H2O] | 0.9589 | 1.0411 | NA | NA | NA | NA |
| PTERIN (M-H)- | NA | NA | 1.0000 | NA | NA | NA |
| PURINE (M-H)- | NA | NA | NA | NA | 1.7472 | 0.2528 |
| PYRROLE-2-CARBOXYLIC ACID (M-H)- | NA | NA | NA | NA | NA | 1.0000 |
| PYRUVIC ACID (M-H)- | 0.9351 | 0.7241 | NA | 0.9416 | 1.1478 | 1.2688 |
| QUINIC ACID (M-H)- | 0.1520 | 2.7331 | NA | 0.6935 | 0.1804 | 0.2539 |
| RAFFINOSE (M+CL)- | 2.1138 | 0.5010 | 0.3488 | 0.4205 | 0.8045 | 0.8558 |
| RETINOIC ACID (M-H)- | 1.6761 | 0.7986 | 1.5288 | 0.0422 | 0.6123 | 1.0872 |
| RIBITOL (M+CL)- | 0.7797 | 1.0208 | NA | 2.9695 | 0.6474 | 1.0618 |
| RIBOSE (M+CL)- | 0.7496 | 0.5749 | 0.4026 | 0.8298 | 1.1916 | 1.5798 |
| S-ADENOSYL-L-HOMOCYSTEINE (M-H)- | NA | NA | NA | 1.2376 | 0.8812 | NA |
| SALICYLIC ACID (M-H)- | NA | 0.9833 | NA | NA | 1.0167 | NA |
| SEBACIC ACID (M-H)- | 0.4046 | 0.9843 | 0.3928 | 0.2937 | 0.7179 | 1.7868 |
| SERINE (M-H)- | 1.3292 | 0.7136 | NA | NA | 2.1622 | 0.7843 |
| SN-GLYCERO-3-PHOSPHOCHOLINE (M+CL)- | 0.9429 | 1.6792 | NA | NA | 0.4041 | 1.0049 |
| STACHYOSE (M+CL)- | 0.8572 | 1.2802 | NA | 0.2421 | 1.0209 | 0.8730 |
| STEARIC ACID (M-H)- | 0.9582 | 1.1254 | 0.9284 | 1.0105 | 0.8729 | 1.0345 |
| SUBERIC ACID (M-H)- | NA | NA | NA | NA | NA | 1.0000 |
| SUCCINIC ACID (M-H)- | 1.3552 | 0.9667 | 0.2179 | 0.5662 | 0.9650 | 0.9014 |
| SUCROSE (M+CL)- | 0.7544 | 0.7617 | 0.3496 | 0.6667 | 1.7309 | 0.8233 |
| TAURINE (M-H)- | 0.7263 | 0.6760 | NA | 0.8247 | 1.9216 | 0.4896 |
| TAUROLITHOCHOLIC ACID (M-H)- | 0.6655 | 1.3852 | 0.4283 | 0.7258 | 1.2096 | 0.7578 |
| TEREPHTHALIC ACID (M-H)- | 1.2283 | 1.2630 | NA | 0.0341 | NA | 0.9183 |
| THYMIDINE (M+CL)- | 1.0528 | 1.0524 | NA | 0.4974 | 0.9191 | 1.0325 |
| THYMIDINE (M-H)- | 0.8758 | 1.0464 | NA | 1.0011 | 0.9799 | 1.0816 |
| TRANS-ACONITIC ACID (M-H)- | 0.6589 | 1.2199 | NA | 0.4222 | 0.9353 | 1.2508 |
| TRICARBALLYLIC ACID (M-H)- | 1.1847 | 0.8002 | NA | NA | 1.3815 | 0.8259 |
| TRICARBALLYLIC ACID (M-H)-[-H2O] | 1.7032 | 3.6441 | NA | NA | 0.8620 | 0.2322 |
| TRICOSANOIC ACID (M-H)- | 1.0709 | 1.0022 | 0.2081 | 0.9541 | 0.7943 | 1.2810 |
| TRIDECANOIC ACID (M-H)- | 0.8697 | 1.2427 | 0.6302 | 0.5753 | 1.1038 | 0.8131 |
| TRYPTOPHAN (2M-H)- | NA | 0.8703 | NA | NA | 1.3982 | 0.8642 |
| TRYPTOPHAN (M-H)- | 0.7398 | 1.1181 | 0.4969 | 0.7846 | 1.0026 | 1.2081 |
| TYROSINE (M-H)- | 1.0947 | 1.0153 | 0.7785 | 0.9950 | 0.7304 | 1.2261 |
| UDP-GLUCOSE (M-H)- | 1.0000 | NA | NA | NA | NA | NA |
| UDP-N-ACETYL-D-GLUCOSAMINE (M-H)- | NA | 1.0000 | NA | NA | NA | NA |
| URACIL 5-CARBOXYLIC ACID (M-H)- | NA | NA | NA | NA | NA | 1.0000 |
| URIC ACID (M-H)- | 0.8261 | 1.0402 | 0.2118 | NA | 1.4196 | 0.7451 |
| URIDINE-5-MONOPHOSPHATE #2 (M-H)- | 0.2107 | 1.0092 | 0.8264 | 0.4284 | 1.6585 | 1.1037 |
| URIDINE (M+CL)- | 0.9410 | 1.1541 | 0.3941 | 0.8007 | 0.9013 | 1.0887 |
| URIDINE (M-H)- | 1.0811 | 0.9054 | 0.5983 | 0.8371 | 1.0406 | 1.0748 |
| UROCANIC ACID (M-H)- | 1.2111 | 0.8191 | 1.0554 | 1.6557 | 1.4367 | 0.5055 |
| VALINE (M-H)- | 0.6911 | 0.7767 | NA | NA | 1.7216 | 1.0552 |
| XANTHINE (M-H)- | 1.0140 | 1.0498 | 0.5450 | 1.9501 | 0.6896 | 1.2060 |
| XANTHOSINE (M-H)- | 0.9932 | 0.8714 | 0.1832 | 0.9745 | 1.4420 | 0.8943 |
| XANTHURENIC ACID (M-H)- | 0.9371 | 0.8968 | NA | NA | 1.2694 | NA |
| ZEATIN [ISTD] (M+CL)- | 1.2902 | 0.8845 | 1.3856 | 0.5441 | 1.1142 | 0.7377 |
| ZEATIN [ISTD] (M-H)- | 1.1781 | 0.8936 | 1.2722 | 0.7318 | 1.1265 | 0.8136 |
Factors:
| F1 | Age Category:Old | Sex of individual:Female |
| F2 | Age Category:Old | Sex of individual:Male |
| F3 | Age Category:Old | Sex of individual:Young |
| F4 | Age Category:Unknown | Sex of individual:Male |
| F5 | Age Category:Young | Sex of individual:Female |
| F6 | Age Category:Young | Sex of individual:Male |
