Data for Red squirrels age related changes (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 |
